Basic information
- Standard SMILES
Fc1ccc2c(-c3ccc(OC[C@@H]4CO4)cc3)noc2c1- InChIKey
XESPQPDSUJNMFV-CYBMUJFWSA-N- Molecular formula
- C16H12FNO3
- Average molar mass
- 285.27 g/mol
Names & identifiers
- Preferred name
- (S)-6-fluoro-3-(4-oxiranylmethoxy-phenyl)-benzo[d]isoxazole
- IUPAC
- 6-fluoro-3-[4-[[(2S)-oxiran-2-yl]methoxy]phenyl]-1,2-benzoxazole
Names & synonyms
SCHEMBL5371470XESPQPDSUJNMFV-CYBMUJFWSA-N(S)-6-fluoro-3-(4-oxiranylmethoxy-phenyl)-benzo[d]isoxazole
Database identifiers
- PubChem CID
- 11254641
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 47.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 361
Related reactions
15 records
Compound notes
Loading…