Basic information
- Standard SMILES
O=C1c2c(-c3cccc(F)c3)noc2CCC1c1cccc(Cl)c1- InChIKey
AAOXFIGEJCETKR-UHFFFAOYSA-N- Molecular formula
- C19H13ClFNO2
- Average molar mass
- 341.8 g/mol
- Monoisotopic mass
- 341.0618845
Names & identifiers
- Preferred name
- 5-(3-Chlorophenyl)-6,7-dihydro-3-(3-fluorophenyl)-1,2-benzisoxazol-4(5H)-one
- IUPAC
- 5-(3-chlorophenyl)-3-(3-fluorophenyl)-6,7-dihydro-5H-1,2-benzoxazol-4-one
Names & synonyms
SCHEMBL9475494AAOXFIGEJCETKR-UHFFFAOYSA-N5-(3-Chlorophenyl)-6,7-dihydro-3-(3-fluorophenyl)-1,2-benzisoxazol-4(5H)-one
Database identifiers
- PubChem CID
- 19801331
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 43.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 476
Related reactions
1 records
Compound notes
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