Basic information
- CAS
837-63-8- Standard SMILES
O=C(c1ccccc1)c1onc2ccccc12- InChIKey
VUIXHVHTGHCQNG-UHFFFAOYSA-N- Molecular formula
- C14H9NO2
- Average molar mass
- 223.23 g/mol
- Monoisotopic mass
- 223.06332853
Names & identifiers
- Preferred name
- 3-Benzoylanthranil
- IUPAC
- 2,1-benzoxazol-3-yl(phenyl)methanone
Names & synonyms
837-63-83-benzoylanthranilNSC81013SCHEMBL9510903CHEMBL4285468DTXSID501003701Ketone,1-benzisoxazol-3-yl phenylNSC-81013Methanone,1-benzisoxazol-3-ylphenyl-(2,1-Benzoxazol-3-yl)(phenyl)methanone
Database identifiers
- CAS
837-63-8- PubChem CID
- 255447
- DTXSID
DTXSID501003701- ChEMBL
CHEMBL4285468- Nikkaji
- J1.922.049D
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 43.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 286
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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