(2R,3R)-2,3-dichloro-1,4-dioxane
PubChem CID
5284382
Structure
Molecular Formula
Synonyms
- (2R,3R)-2,3-dichloro-1,4-dioxane
- DTXSID7020421
- CAS-3883-43-0
- DTXCID10421
- trans-2,3-Dichloro-1,4-diethylene Dioxide
Molecular Weight
156.99 g/mol
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Dates
- Create:2005-11-20
- Modify:2024-12-07
See also: trans-2,3-Dichloro-1,4-dioxane (annotation moved to).
Chemical Structure Depiction
(2R,3R)-2,3-dichloro-1,4-dioxane
Computed by Lexichem TK 2.7.0 (PubChem release 2021.10.14)
InChI=1S/C4H6Cl2O2/c5-3-4(6)8-2-1-7-3/h3-4H,1-2H2/t3-,4-/m0/s1
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
ZOZUXFQYIYUIND-IMJSIDKUSA-N
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
C1CO[C@@H]([C@H](O1)Cl)Cl
Computed by OEChem 2.3.0 (PubChem release 2021.10.14)
C4H6Cl2O2
Computed by PubChem 2.2 (PubChem release 2021.10.14)
3883-43-0
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
156.99 g/mol
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
XLogP3-AA
Property Value
1.2
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
2
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
155.9744848 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Monoisotopic Mass
Property Value
155.9744848 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Topological Polar Surface Area
Property Value
18.5Ų
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Heavy Atom Count
Property Value
8
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
68.4
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
2
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)
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Same Connectivity Count
Same Isotope Count
Same Parent, Connectivity Count
Same Parent, Isotope Count
Similar Compounds (2D)
Similar Conformers (3D)
Same Count
trans-2,3-Dichloro-1,4-dioxane (annotation moved to)
- ChEMBLLICENSEAccess to the web interface of ChEMBL is made under the EBI's Terms of Use (http://www.ebi.ac.uk/Information/termsofuse.html). The ChEMBL data is made available on a Creative Commons Attribution-Share Alike 3.0 Unported License (http://creativecommons.org/licenses/by-sa/3.0/).http://www.ebi.ac.uk/Information/termsofuse.html
- EPA DSSTox2,3-Dichloro-p-dioxanehttps://comptox.epa.gov/dashboard/DTXSID7020421CompTox Chemicals Dashboard Chemical Listshttps://comptox.epa.gov/dashboard/chemical-lists/
- Japan Chemical Substance Dictionary (Nikkaji)
- SpringerMaterialstrans-2,3-dichloro-1,4-dioxanehttps://materials.springer.com/substanceprofile/docs/smsid_ixtroykzqjbwmbcy
- Thieme ChemistryLICENSEThe Thieme Chemistry contribution within PubChem is provided under a CC-BY-NC-ND 4.0 license, unless otherwise stated.https://creativecommons.org/licenses/by-nc-nd/4.0/
- Wikidata(2R,3R)-2,3-dichloro-1,4-dioxanehttps://www.wikidata.org/wiki/Q63088181
- PubChem
- NORMAN Suspect List ExchangeLICENSEData: CC-BY 4.0; Code (hosted by ECI, LCSB): Artistic-2.0https://creativecommons.org/licenses/by/4.0/NORMAN Suspect List Exchange Classificationhttps://www.norman-network.com/nds/SLE/
- MolGenieMolGenie Organic Chemistry Ontologyhttps://github.com/MolGenie/ontology/
CONTENTS