3-[2-(4-Chlorophenyl)-2-hydroxyethenyl]-1,4-benzoxazin-2-one
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Basic information
- Standard SMILES
O=c1oc2ccccc2nc1C=C(O)c1ccc(Cl)cc1- InChIKey
BANXOUCTIGXFDK-UHFFFAOYSA-N- Molecular formula
- C16H10ClNO3
- Average molar mass
- 299.71 g/mol
- Monoisotopic mass
- 299.0349209
Names & identifiers
- Preferred name
- 3-[2-(4-Chlorophenyl)-2-hydroxyethenyl]-1,4-benzoxazin-2-one
- IUPAC
- 3-[2-(4-chlorophenyl)-2-hydroxyethenyl]-1,4-benzoxazin-2-one
Database identifiers
- PubChem CID
- 388115
Properties
Computed structural propertiesFilling in
- XLogP
- 3.4
- Topological polar surface area
- 58.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 466
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