Basic information
- Standard SMILES
CC(C(=O)c1ccc2oc(=O)n(C)c2c1)c1ccc(Br)cc1Cl- InChIKey
OLSKPQJQVWCMCP-UHFFFAOYSA-N- Molecular formula
- C17H13BrClNO3
- Average molar mass
- 394.6 g/mol
- Monoisotopic mass
- 392.97673
Names & identifiers
- Preferred name
- 5-[2-(4-Bromo-2-chloro-phenyl)-propionyl]-3-methyl-3H-benzooxazol-2-one
- IUPAC
- 5-[2-(4-bromo-2-chlorophenyl)propanoyl]-3-methyl-1,3-benzoxazol-2-one
Names & synonyms
SCHEMBL474028OLSKPQJQVWCMCP-UHFFFAOYSA-N5-[2-(4-Bromo-2-chloro-phenyl)-propionyl]-3-methyl-3H-benzooxazol-2-one
Database identifiers
- PubChem CID
- 66697106
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 46.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 488
Related reactions
8 records
Compound notes
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