Basic information
- CAS
1261953-09-6- Standard SMILES
COc1ccc(F)c(-c2ccc(C(=O)O)cc2C)c1- InChIKey
IXNNHYQNGATQBB-UHFFFAOYSA-N- Molecular formula
- C15H13FO3
- Average molar mass
- 260.26 g/mol
- Monoisotopic mass
- 260.08487243
Names & identifiers
- Preferred name
- 4-(2-Fluoro-5-methoxyphenyl)-3-methylbenzoic acid
- IUPAC
- 4-(2-fluoro-5-methoxyphenyl)-3-methylbenzoic acid
Names & synonyms
1261953-09-64-(2-FLUORO-5-METHOXYPHENYL)-3-METHYLBENZOIC ACIDMFCD18320602DTXSID406901214-(2-fluoro-5-methoxy-phenyl)-3-methyl-benzoic acid4-(2-Fluoro-5-methoxyphenyl)-3-methylbenzoic acid, 95%2'-Fluoro-5'-methoxy-2-methyl[1,1'-biphenyl]-4-carboxylic acid
Database identifiers
- CAS
1261953-09-6- PubChem CID
- 53226503
- DTXSID
DTXSID40690121
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 321
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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