Basic information
- Standard SMILES
OCCC(O)CCl- InChIKey
IQDXPPKWNPMHJI-UHFFFAOYSA-N- Molecular formula
- C4H9ClO2
- Average molar mass
- 124.56 g/mol
Names & identifiers
- Preferred name
- 4-Chlorobutane-1,3-diol
- IUPAC
- 4-chlorobutane-1,3-diol
Names & synonyms
4-chlorobutane-1,3-diol4-chloro-1,3-butanediol145873-44-5SCHEMBL3152141SCHEMBL27590512racemic 4-chloro-1,3-butanediolIQDXPPKWNPMHJI-UHFFFAOYSA-NAT21895
Database identifiers
- PubChem CID
- 5152901
- Nikkaji
- J974.589K
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 40.7
Related reactions
4 records
Compound notes
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