3,3-Dichloropropanol
Basic information
- CAS
83682-72-8- Standard SMILES
OCCC(Cl)Cl- InChIKey
PUNGDGIPJMLONU-UHFFFAOYSA-N- Molecular formula
- C3H6Cl2O
- Average molar mass
- 128.98 g/mol
- Monoisotopic mass
- 127.9795702
Names & identifiers
- Preferred name
- 3,3-Dichloropropanol
- IUPAC
- 3,3-dichloropropan-1-ol
Names & synonyms
3,3-DICHLOROPROPANOL83682-72-8DTXSID20232523RefChem:270230DTXCID501550143,3-dichloropropan-1-ol3-dichloro-1-propanolSCHEMBL1097SCHEMBL4354763
Database identifiers
- CAS
83682-72-8- PubChem CID
- 55101
- DTXSID
DTXSID20232523- Nikkaji
- J1.596.195C
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 6
- Formal charge
- 0
- Complexity
- 30
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Compound notes
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