Basic information
- CAS
66543-18-8- Standard SMILES
CC(O)C=C(Cl)Cl- InChIKey
LGISEBATRKKCKL-UHFFFAOYSA-N- Molecular formula
- C4H6Cl2O
- Average molar mass
- 140.99 g/mol
- Monoisotopic mass
- 139.9795702
Names & identifiers
- Preferred name
- 4,4-Dichlorobut-3-en-2-ol
- IUPAC
- 4,4-dichlorobut-3-en-2-ol
Names & synonyms
4,4-Dichlorobut-3-en-2-ol66543-18-8DTXSID40603453RefChem:284919DTXCID00554210SCHEMBL10794031
Database identifiers
- CAS
66543-18-8- PubChem CID
- 20201005
- DTXSID
DTXSID40603453
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 75.8
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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