Dichloroallyl lawsone sodium
PubChem CID
137331861
Structure
Molecular Formula
Synonyms
- Dichloroallyl lawsone sodium
- 21RWL2KJ0G
- Dichloroallyl lawsone sodium salt
- UNII-21RWL2KJ0G
- 1,2-Naphthalenedione, 3-(3,3-dichloro-2-propen-1-yl)-4-hydroxy-, sodium salt (1:1)
Molecular Weight
305.08 g/mol
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Parent Compound
Component Compounds
Dates
- Create:2019-02-16
- Modify:2025-01-04
Chemical Structure Depiction
3D Conformer of Parent
sodium;3-(3,3-dichloroprop-2-enyl)-1,4-dioxonaphthalen-2-olate
Computed by LexiChem 2.6.6 (PubChem release 2019.06.18)
InChI=1S/C13H8Cl2O3.Na/c14-10(15)6-5-9-11(16)7-3-1-2-4-8(7)12(17)13(9)18;/h1-4,6,18H,5H2;/q;+1/p-1
Computed by InChI 1.0.5 (PubChem release 2019.06.18)
SESUYUCDPRKXKL-UHFFFAOYSA-M
Computed by InChI 1.0.5 (PubChem release 2019.06.18)
C1=CC=C2C(=C1)C(=O)C(=C(C2=O)[O-])CC=C(Cl)Cl.[Na+]
Computed by OEChem 2.3.0 (PubChem release 2024.12.12)
C13H7Cl2NaO3
Computed by PubChem 2.1 (PubChem release 2019.06.18)
1135117-42-8
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
305.08 g/mol
Reference
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Property Name
Hydrogen Bond Donor Count
Property Value
0
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Hydrogen Bond Acceptor Count
Property Value
3
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Rotatable Bond Count
Property Value
2
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Exact Mass
Property Value
303.9669938 Da
Reference
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Property Name
Monoisotopic Mass
Property Value
303.9669938 Da
Reference
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Property Name
Topological Polar Surface Area
Property Value
57.2 Ų
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
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
453
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
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
2
Reference
Computed by PubChem
Property Name
Compound Is Canonicalized
Property Value
Yes
Reference
Computed by PubChem (release 2019.01.04)
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Same Parent, Exact Count
Mixtures, Components, and Neutralized Forms Count
Similar Compounds (2D)
Similar Conformers (3D)
Same Count
- ChemIDplusDichloroallyl lawsone sodiumhttps://pubchem.ncbi.nlm.nih.gov/substance/?source=chemidplus&sourceid=1135117428ChemIDplus Chemical Information Classificationhttps://pubchem.ncbi.nlm.nih.gov/source/ChemIDplus
- 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#linkingDICHLOROALLYL LAWSONE SODIUMhttps://gsrs.ncats.nih.gov/ginas/app/beta/substances/21RWL2KJ0G
- PubChem
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