Basic information
- Standard SMILES
O=C(O)COc1ccc2c(-c3ccc(F)cc3)noc2c1Cl- InChIKey
JPHQPFBCWQFUSW-UHFFFAOYSA-N- Molecular formula
- C15H9ClFNO4
- Average molar mass
- 321.69 g/mol
Names & identifiers
- Preferred name
- {[7-Chloro-3-(4-fluorophenyl)-1,2-benzisoxazol-6-yl]oxy}acetic acid
- IUPAC
- 2-[[7-chloro-3-(4-fluorophenyl)-1,2-benzoxazol-6-yl]oxy]acetic acid
Names & synonyms
CHEMBL139496SCHEMBL10656305JPHQPFBCWQFUSW-UHFFFAOYSA-N{[7-chloro-3-(4-fluorophenyl)-1,2-benzisoxazol-6-yl]oxy}acetic acid
Database identifiers
- PubChem CID
- 13015709
- ChEMBL
CHEMBL139496
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 72.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 405
Related reactions
2 records
Compound notes
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