Basic information
- Standard SMILES
O=C1Nc2cccc(Cl)c2C(c2ccc(F)cc2)O1- InChIKey
PYFQAQNBQISXGJ-UHFFFAOYSA-N- Molecular formula
- C14H9ClFNO2
- Average molar mass
- 277.68 g/mol
- Monoisotopic mass
- 277.0305844
Names & identifiers
- Preferred name
- (+/-)-5-chloro-4-(4-fluorophenyl)-1,4-dihydro-2H-3,1-benzoxazin-2-one
- IUPAC
- 5-chloro-4-(4-fluorophenyl)-1,4-dihydro-3,1-benzoxazin-2-one
Names & synonyms
SCHEMBL5117969PYFQAQNBQISXGJ-UHFFFAOYSA-N(+/-)-5-chloro-4-(4-fluorophenyl)-1,4-dihydro-2H-3,1-benzoxazin-2-one
Database identifiers
- PubChem CID
- 69317854
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 346
Related reactions
2 records
Compound notes
Loading…