Basic information
- CAS
1261899-33-5- Standard SMILES
COc1ccc(C)cc1-c1cccc(F)c1C(=O)O- InChIKey
RCOFVKRWCAFYII-UHFFFAOYSA-N- Molecular formula
- C15H13FO3
- Average molar mass
- 260.26 g/mol
- Monoisotopic mass
- 260.08487243
Names & identifiers
- Preferred name
- 6-Fluoro-2-(2-methoxy-5-methylphenyl)benzoic acid
- IUPAC
- 2-fluoro-6-(2-methoxy-5-methylphenyl)benzoic acid
Names & synonyms
1261899-33-56-FLUORO-2-(2-METHOXY-5-METHYLPHENYL)BENZOIC ACIDMFCD183203312-fluoro-6-(2-methoxy-5-methylphenyl)benzoic acidDTXSID306899482-fluoro-6-(2-methoxy-5-methyl-phenyl)benzoic acid6-Fluoro-2-(2-methoxy-5-methylphenyl)benzoic acid, 95%3-Fluoro-2'-methoxy-5'-methyl[1,1'-biphenyl]-2-carboxylic acid
Database identifiers
- CAS
1261899-33-5- PubChem CID
- 53226237
- DTXSID
DTXSID30689948
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
Loading…