Basic information
- CAS
106291-25-2- Standard SMILES
COc1ccc(-c2ccc(C(=O)O)cc2)cc1F- InChIKey
FEZSDEWFHLIIFF-UHFFFAOYSA-N- Molecular formula
- C14H11FO3
- Average molar mass
- 246.23 g/mol
- Monoisotopic mass
- 246.06922243
Names & identifiers
- Preferred name
- 3'-Fluoro-4'-methoxy-[1,1'-biphenyl]-4-carboxylic acid
- IUPAC
- 4-(3-fluoro-4-methoxyphenyl)benzoic acid
- English name
- 3'-FLUORO-4'-METHOXYLBIPHENYL-4-CARBOXYLIC ACID
- Molecular formula
- C14H11FO3
- Molecular weight
- 246.23
Names & synonyms
106291-25-24-(3-fluoro-4-methoxyphenyl)benzoic acid3'-Fluoro-4'-methoxy-[1,1'-biphenyl]-4-carboxylic acidMFCD018177303'-fluoro-4'-methoxylbiphenyl-4-carboxylic acid3'-Fluoro-4'-methoxy[1,1'-biphenyl]-4-carboxylic acid4-(3-fluoro-4-methoxy-phenyl)benzoic Acid3'-Fluoro-4'-methoxy-biphenyl-4-carboxylic acidOprea1_255905SCHEMBL36434903'-Fluoro-4'-methoxy-[1,1'-biphenyl]-4-carboxylicacidSCHEMBL30595083
Show more names
4-(5-Fluoro-2-methoxyphenyl)benzoic acid4-(3-Fluoro-5-methoxyphenyl)benzoic acid[1,1'-Biphenyl]-4-carboxylic acid, 3'-fluoro-4'-methoxy-
DTXSID20360936FEZSDEWFHLIIFF-UHFFFAOYSA-NAKOS0089672703'-fluoro-4'-methoxybiphenyl-4-carboxylic acidEN300-1585773AG-690/13701570A1-14528[1,1'-Biphenyl]-4-carboxylicacid,3'-fluoro-4'-methoxy-
Database identifiers
- CAS
106291-25-2- PubChem CID
- 1203166
- DTXSID
DTXSID20360936
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
Physicochemical properties
- Boiling point
- 412.9 · 412.9±40.0 °C(Predicted)
- Density
- 1.259 · 1.259±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 4.14 · 4.14±0.10(Predicted)
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers3 total
深圳聚合生化科技有限公司+86-400-002-6226 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
10 records
Compound notes
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