Basic information
- CAS
80930-53-6- Standard SMILES
O=C(Cn1ccnc1)c1ccc(Cl)cc1O- InChIKey
PSOMARMCJMDISA-UHFFFAOYSA-N- Molecular formula
- C11H9ClN2O2
- Average molar mass
- 236.65 g/mol
- Monoisotopic mass
- 236.0352552
Names & identifiers
- Preferred name
- 1-(4-Chloro-2-hydroxyphenyl)-2-(1H-imidazol-1-yl)ethan-1-one
- IUPAC
- 1-(4-chloro-2-hydroxyphenyl)-2-imidazol-1-ylethanone
Names & synonyms
80930-53-6CHEMBL255125DTXSID105348611-(4-Chloro-2-hydroxyphenyl)-2-(1H-imidazol-1-yl)ethan-1-one
Database identifiers
- CAS
80930-53-6- PubChem CID
- 13287828
- DTXSID
DTXSID10534861- ChEMBL
CHEMBL255125
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 55.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 262
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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