Basic information
- CAS
2736-78-9- Standard SMILES
OCC(Cl)C(Cl)CO- InChIKey
BDFQFJDIIIRPBO-UHFFFAOYSA-N- Molecular formula
- C4H8Cl2O2
- Average molar mass
- 159.01 g/mol
- Monoisotopic mass
- 157.9901349
Names & identifiers
- Preferred name
- 1,4-Butanediol, 2,3-dichloro-, (+,-)-
- IUPAC
- 2,3-dichlorobutane-1,4-diol
Names & synonyms
1,4-BUTANEDIOL, 2,3-DICHLORO-, (+,-)-RefChem:1053223dl-2,3-Dichloro-1,4-butanediol63783-49-32,3-dichlorobutane-1,4-diol2736-78-9SCHEMBL7516897DTXSID109500622,3-DICHLORO-1,4-BUTANEDIOLDB-302212
Database identifiers
- CAS
2736-78-9、63783-49-3- PubChem CID
- 44768
- DTXSID
DTXSID10950062
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 52
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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