4'-Chloro-2-(2-pyrazinyl)-acetophenone
Basic information
- CAS
83227-49-0- Standard SMILES
O=C(Cc1cnccn1)c1ccc(Cl)cc1- InChIKey
KBCBKIPUEHCLJB-UHFFFAOYSA-N- Molecular formula
- C12H9ClN2O
- Average molar mass
- 232.66 g/mol
- Monoisotopic mass
- 232.0403406
Names & identifiers
- Preferred name
- 4'-Chloro-2-(2-pyrazinyl)-acetophenone
- IUPAC
- 1-(4-chlorophenyl)-2-pyrazin-2-ylethanone
Names & synonyms
83227-49-01-(4-CHLOROPHENYL)-2-(PYRAZIN-2-YL)ETHANONENSC428894'-chloro-2-(2-pyrazinyl)-acetophenoneEthanone,1-(4-chlorophenyl)-2-(2-pyrazinyl)-SCHEMBL10908679KBCBKIPUEHCLJB-UHFFFAOYSA-NDTXSID901003210NSC-42889DS-0108861-(4-Chlorophenyl)-2-(pyrazin-2-yl)ethan-1-one
Database identifiers
- CAS
83227-49-0- PubChem CID
- 238512
- DTXSID
DTXSID901003210
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 42.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 239
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Related reactions
2 records
Compound notes
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