Basic information
- CAS
1261926-40-2- Standard SMILES
Cc1cccc(-c2cc(F)cc(C(=O)O)c2)c1C(=O)O- InChIKey
NZYMQAVPRMYFMT-UHFFFAOYSA-N- Molecular formula
- C15H11FO4
- Average molar mass
- 274.24 g/mol
- Monoisotopic mass
- 274.06413699
Names & identifiers
- Preferred name
- 2-(3-Carboxy-5-fluorophenyl)-6-methylbenzoic acid
- IUPAC
- 2-(3-carboxy-5-fluorophenyl)-6-methylbenzoic acid
Names & synonyms
1261926-40-22-(3-CARBOXY-5-FLUOROPHENYL)-6-METHYLBENZOIC ACIDMFCD18321459DTXSID806908872-(3-carboxy-5-fluoro-phenyl)-6-methyl-benzoic acid2-(3-Carboxy-5-fluorophenyl)-6-methylbenzoic acid, 95%5'-Fluoro-3-methyl[1,1'-biphenyl]-2,3'-dicarboxylic acid
Database identifiers
- CAS
1261926-40-2- PubChem CID
- 53227331
- DTXSID
DTXSID80690887
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 74.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 384
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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