Basic information
- CAS
72766-68-8- Standard SMILES
O=C(c1ccc2[nH]c(=O)oc2c1)c1ccccc1Cl- InChIKey
ZBBOBISKWSAIAQ-UHFFFAOYSA-N- Molecular formula
- C14H8ClNO3
- Average molar mass
- 273.67 g/mol
- Monoisotopic mass
- 273.0192708
Names & identifiers
- Preferred name
- 2-Benzoxazolinone, 6-(o-chlorobenzoyl)-
- IUPAC
- 6-(2-chlorobenzoyl)-3H-1,3-benzoxazol-2-one
Names & synonyms
BRN 53429242-BENZOXAZOLINONE, 6-(o-CHLOROBENZOYL)-6-(o-Chlorobenzoyl)-2-benzoxazolinone(Chloro-2' benzoyl)-6 benzoxazolinone(Chloro-2' benzoyl)-6 benzoxazolinone [French]72766-68-8DTXSID30223104RefChem:256439DTXCID901455956-(2-Chlorobenzoyl)-1,3-benzoxazol-2(3H)-one
Database identifiers
- CAS
72766-68-8- PubChem CID
- 51684
- DTXSID
DTXSID30223104- Nikkaji
- J67.934H
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 55.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 387
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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