Basic information
- Standard SMILES
Cc1onc(-c2ccc(Br)cc2F)c1C(=O)O- InChIKey
HWJGMFHETXFQCA-UHFFFAOYSA-N- Molecular formula
- C11H7BrFNO3
- Average molar mass
- 300.08 g/mol
Names & identifiers
- Preferred name
- 4-Carboxy-5-methyl-3-(2-fluoro-4-bromophenyl)isoxazole
- IUPAC
- 3-(4-bromo-2-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxylic acid
Names & synonyms
334971-46-93-(4-Bromo-2-fluorophenyl)-5-methylisoxazole-4-carboxylic acid4-carboxy-5-methyl-3-(2-fluoro-4-bromophenyl)isoxazoleSCHEMBL5772816HWJGMFHETXFQCA-UHFFFAOYSA-NAKOS013477529SY332171
Database identifiers
- PubChem CID
- 18756285
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 63.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 304
Related reactions
3 records
Compound notes
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