Basic information
- CAS
64205-83-0- Standard SMILES
OCC(O)C(Cl)CCl- InChIKey
LDOQHQCRWONJRZ-UHFFFAOYSA-N- Molecular formula
- C4H8Cl2O2
- Average molar mass
- 159.01 g/mol
- Monoisotopic mass
- 157.9901349
Names & identifiers
- Preferred name
- 3,4-Dichlorobutane-1,2-diol
- IUPAC
- 3,4-dichlorobutane-1,2-diol
Names & synonyms
3,4-dichlorobutane-1,2-diolNSC6000593,4-Dichloro-1,2-butanediol64205-83-0CHEMBL1990632DTXSID00326530AKOS006384057NSC-600059NCI60_004466
Database identifiers
- CAS
64205-83-0- PubChem CID
- 353042
- DTXSID
DTXSID00326530- ChEMBL
CHEMBL1990632- Nikkaji
- J803.171A
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
- 60
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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