Basic information
- CAS
125996-70-5- Standard SMILES
O=C(Cc1ccncc1)c1cccc(Cl)c1- InChIKey
CCSXLEIWYLIMED-UHFFFAOYSA-N- Molecular formula
- C13H10ClNO
- Average molar mass
- 231.68 g/mol
- Monoisotopic mass
- 231.0450916
Names & identifiers
- Preferred name
- 1-(3-Chlorophenyl)-2-(4-pyridyl)ethanone
- IUPAC
- 1-(3-chlorophenyl)-2-pyridin-4-ylethanone
Names & synonyms
125996-70-51-(3-CHLOROPHENYL)-2-(PYRIDIN-4-YL)ETHANONE1-(3-CHLOROPHENYL)-2-(4-PYRIDYL)ETHANONESCHEMBL3284705DTXSID50463762AKOS011844825DA-133321-(3-Chlorophenyl)-2-(pyridin-4-yl)ethan-1-one
Database identifiers
- CAS
125996-70-5- PubChem CID
- 11368245
- DTXSID
DTXSID50463762
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 30 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 238
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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