Basic information
- Standard SMILES
Cc1noc(-c2ccc(Br)cc2)c1CC(=O)O- InChIKey
DNWQYRVZRYCVLI-UHFFFAOYSA-N- Molecular formula
- C12H10BrNO3
- Average molar mass
- 296.12 g/mol
- Monoisotopic mass
- 294.98441
Names & identifiers
- Preferred name
- [5-(4-Bromo-phenyl)-3-methyl-isoxazol-4-yl]acetic acid
- IUPAC
- 2-[5-(4-bromophenyl)-3-methyl-1,2-oxazol-4-yl]acetic acid
Names & synonyms
SCHEMBL1279DNWQYRVZRYCVLI-UHFFFAOYSA-N[5-(4-Bromo-phenyl)-3-methyl-isoxazol-4-yl]-acetic acid[5-(4-Bromo-phenyl)-3-methyl-isoxazol-4-yl]acetic acid
Database identifiers
- PubChem CID
- 66577233
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 63.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 279
Related reactions
9 records
Compound notes
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