Basic information
- Standard SMILES
O=C1CCCc2onc(-c3ccc(F)cc3)c21- InChIKey
CLHBESKFHLDMHB-UHFFFAOYSA-N- Molecular formula
- C13H10FNO2
- Average molar mass
- 231.22 g/mol
- Monoisotopic mass
- 231.06955672
Names & identifiers
- Preferred name
- 6,7-dihydro-3-(4-fluorophenyl)-1,2-benzisoxazol-4(5H)-one
- IUPAC
- 3-(4-fluorophenyl)-6,7-dihydro-5H-1,2-benzoxazol-4-one
Names & synonyms
SCHEMBL9024407CLHBESKFHLDMHB-UHFFFAOYSA-N6,7-dihydro-3-(4-fluorophenyl)-1,2-benzisoxazol-4(5H)-one
Database identifiers
- PubChem CID
- 19786558
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 43.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 302
Related reactions
4 records
Compound notes
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