Basic information
- CAS
70964-68-0- Standard SMILES
O=C(c1ccccc1Cl)n1oc2ccccc2c1=O- InChIKey
VPKRUUBMQCMKER-UHFFFAOYSA-N- Molecular formula
- C14H8ClNO3
- Average molar mass
- 273.67 g/mol
- Monoisotopic mass
- 273.0192708
Names & identifiers
- Preferred name
- 2-(2-Chlorobenzoyl)-1,2-benzoxazol-3(2H)-one
- IUPAC
- 2-(2-chlorobenzoyl)-1,2-benzoxazol-3-one
Names & synonyms
70964-68-0DTXSID703201412-(2-Chlorobenzoyl)-1,2-benzoxazol-3(2H)-oneRefChem:250560DTXCID10271264NSC355375CHEMBL1989682NSC-355375NCI60_003201
Database identifiers
- CAS
70964-68-0- PubChem CID
- 337441
- DTXSID
DTXSID70320141- ChEMBL
CHEMBL1989682
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 46.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- 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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