1-(3-(3-Chlorophenyl)isoxazol-5-yl)ethanone
Basic information
- CAS
889939-01-9- Standard SMILES
CC(=O)c1cc(-c2cccc(Cl)c2)no1- InChIKey
GSFDUGNICJVPJS-UHFFFAOYSA-N- Molecular formula
- C11H8ClNO2
- Average molar mass
- 221.64 g/mol
- Monoisotopic mass
- 221.0243562
Names & identifiers
- Preferred name
- 1-(3-(3-Chlorophenyl)isoxazol-5-yl)ethanone
- IUPAC
- 1-[3-(3-chlorophenyl)-1,2-oxazol-5-yl]ethanone
- English name
- 5-ACETYL-3(3-CHLOROPHENYL)-ISOXAZOLE
- Molecular formula
- C11H8ClNO2
- Molecular weight
- 221.64
Names & synonyms
889939-01-91-(3-(3-Chlorophenyl)isoxazol-5-yl)ethanoneEthanone,1-[3-(3-chlorophenyl)-5-isoxazolyl]-DTXSID106285521-[3-(3-Chloro-phenyl)-isoxazol-5-yl]-ethanoneA1-047581-[3-(3-Chlorophenyl)-1,2-oxazol-5-yl]ethan-1-one5-ACETYL-3(3-CHLOROPHENYL)-ISOXAZOLEEthanone, 1-[3-(3-chlorophenyl)-5-isoxazolyl]-
Database identifiers
- CAS
889939-01-9- PubChem CID
- 22831985
- DTXSID
DTXSID10628552
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 43.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 247
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Compound notes
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