7-Chlorobenz[a]anthracene
PubChem CID
88446
Structure
Molecular Formula
Synonyms
- 7-Chlorobenz(a)anthracene
- 20268-52-4
- 7-chlorobenzo[a]anthracene
- CCRIS 3878
- 10-Chloro-1,2-benzanthracene
Molecular Weight
262.7 g/mol
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Dates
- Create:2005-08-08
- Modify:2025-01-18
Chemical Structure Depiction
7-chlorobenzo[a]anthracene
Computed by Lexichem TK 2.7.0 (PubChem release 2021.10.14)
InChI=1S/C18H11Cl/c19-18-15-8-4-2-6-13(15)11-17-14-7-3-1-5-12(14)9-10-16(17)18/h1-11H
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
SBPAFMRNDOFNLB-UHFFFAOYSA-N
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
C1=CC=C2C(=C1)C=CC3=C(C4=CC=CC=C4C=C32)Cl
Computed by OEChem 2.3.0 (PubChem release 2024.12.12)
C18H11Cl
Computed by PubChem 2.2 (PubChem release 2021.10.14)
7-chlorobenz(a)anthracene
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
262.7 g/mol
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
XLogP3-AA
Property Value
6.3
Reference
Computed by XLogP3 3.0 (PubChem release 2021.10.14)
Property Name
Hydrogen Bond Donor Count
Property Value
0
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Hydrogen Bond Acceptor Count
Property Value
0
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Rotatable Bond Count
Property Value
0
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Exact Mass
Property Value
262.0549280 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Monoisotopic Mass
Property Value
262.0549280 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Topological Polar Surface Area
Property Value
0 Ų
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Heavy Atom Count
Property Value
19
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
326
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Isotope Atom Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Covalently-Bonded Unit Count
Property Value
1
Reference
Computed by PubChem
Property Name
Compound Is Canonicalized
Property Value
Yes
Reference
Computed by PubChem (release 2021.10.14)
Follow these links to do a live 2D search or do a live 3D search for this compound, sorted by annotation score. This section is deprecated (see here for details), but these live search links provide equivalent functionality to the table that was previously shown here.
Similar Compounds (2D)
Similar Conformers (3D)
Same Count
Patents are available for this chemical structure:
https://patentscope.wipo.int/search/en/result.jsf?inchikey=SBPAFMRNDOFNLB-UHFFFAOYSA-N
- CAS Common ChemistryLICENSEThe data from CAS Common Chemistry is provided under a CC-BY-NC 4.0 license, unless otherwise stated.https://creativecommons.org/licenses/by-nc/4.0/7-Chlorobenz[a]anthracenehttps://commonchemistry.cas.org/detail?cas_rn=20268-52-4
- ChemIDplus7-Chlorobenz(a)anthracenehttps://pubchem.ncbi.nlm.nih.gov/substance/?source=chemidplus&sourceid=0020268524ChemIDplus Chemical Information Classificationhttps://pubchem.ncbi.nlm.nih.gov/source/ChemIDplus
- EPA DSSTox7-Chlorobenz(a)anthracenehttps://comptox.epa.gov/dashboard/DTXSID20174116CompTox Chemicals Dashboard Chemical Listshttps://comptox.epa.gov/dashboard/chemical-lists/
- FDA Global Substance Registration System (GSRS)LICENSEUnless otherwise noted, the contents of the FDA website (www.fda.gov), both text and graphics, are not copyrighted. They are in the public domain and may be republished, reprinted and otherwise used freely by anyone without the need to obtain permission from FDA. Credit to the U.S. Food and Drug Administration as the source is appreciated but not required.https://www.fda.gov/about-fda/about-website/website-policies#linking7-CHLOROBENZ(A)ANTHRACENEhttps://gsrs.ncats.nih.gov/ginas/app/beta/substances/2OZT3Q4Q8D
- Comparative Toxicogenomics Database (CTD)LICENSEIt is to be used only for research and educational purposes. Any reproduction or use for commercial purpose is prohibited without the prior express written permission of NC State University.http://ctdbase.org/about/legal.jsp7-chlorobenz(a)anthracenehttps://ctdbase.org/detail.go?type=chem&acc=C046094
- Japan Chemical Substance Dictionary (Nikkaji)
- Springer Nature
- Wikidata7-chlorobenz(a)anthracenehttps://www.wikidata.org/wiki/Q27255281
- PubChem
- Medical Subject Headings (MeSH)LICENSEWorks produced by the U.S. government are not subject to copyright protection in the United States. Any such works found on National Library of Medicine (NLM) Web sites may be freely used or reproduced without permission in the U.S.https://www.nlm.nih.gov/copyright.html7-chlorobenz(a)anthracenehttps://www.ncbi.nlm.nih.gov/mesh/67046094
- MolGenieMolGenie Organic Chemistry Ontologyhttps://github.com/MolGenie/ontology/
- PATENTSCOPE (WIPO)SID 427449341https://pubchem.ncbi.nlm.nih.gov/substance/427449341
CONTENTS