4-Fluoro-3-(4-methoxyphenyl)benzoic acid
Basic information
- CAS
1181639-55-3- Standard SMILES
COc1ccc(-c2cc(C(=O)O)ccc2F)cc1- InChIKey
NHHAAAADYVAWMR-UHFFFAOYSA-N- Molecular formula
- C14H11FO3
- Average molar mass
- 246.23 g/mol
- Monoisotopic mass
- 246.06922237
Names & identifiers
- Preferred name
- 4-Fluoro-3-(4-methoxyphenyl)benzoic acid
- IUPAC
- 4-fluoro-3-(4-methoxyphenyl)benzoic acid
Names & synonyms
4-FLUORO-3-(4-METHOXYPHENYL)BENZOIC ACID1181639-55-3MFCD11933533SCHEMBL31038313SCHEMBL41978430DTXSID106535214-Fluoro-3-(4-methoxyphenyl)benzoic acid, 95%6-Fluoro-4'-methoxy[1,1'-biphenyl]-3-carboxylic acid
Database identifiers
- CAS
1181639-55-3- PubChem CID
- 39232193
- DTXSID
DTXSID10653521
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 287
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Compound notes
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