Basic information
- CAS
64407-69-8- Standard SMILES
OCC(Cl)Cc1cnc[nH]1- InChIKey
XMVHBIQEFHTDED-UHFFFAOYSA-N- Molecular formula
- C6H9ClN2O
- Average molar mass
- 160.6 g/mol
- Monoisotopic mass
- 160.0403406
Names & identifiers
- Preferred name
- 2-chloro-3-(1H-imidazol-5-yl)propan-1-ol
- IUPAC
- 2-chloro-3-(1H-imidazol-5-yl)propan-1-ol
Names & synonyms
64407-69-82-chloro-3-(1H-imidazol-5-yl)propan-1-olNSC304697DTXSID40316576NSC-304697
Database identifiers
- CAS
64407-69-8- PubChem CID
- 327892
- DTXSID
DTXSID40316576- Nikkaji
- J738.842J
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 48.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 102
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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