Basic information
- CAS
5001-99-0- Standard SMILES
O=C(O)Cc1ccc(-c2ccccc2F)cc1- InChIKey
HSOKOZJRZALFLQ-UHFFFAOYSA-N- Molecular formula
- C14H11FO2
- Average molar mass
- 230.23 g/mol
- Monoisotopic mass
- 230.07430781
Names & identifiers
- Preferred name
- 4-Biphenylacetic acid, 2'-fluoro-
- IUPAC
- 2-[4-(2-fluorophenyl)phenyl]acetic acid
- English name
- AKOS BAR-2301
- Molecular formula
- C14H11FO2
- Molecular weight
- 230.23
Names & synonyms
5001-99-04-BIPHENYLACETIC ACID, 2'-FLUORO-AFV 22'-Fluoro-4-biphenylacetic acidBRN 15740002-(2'-Fluor-4-biphenylyl)-essigsaeure [German]2-(2'-Fluor-4-biphenylyl)-essigsaeureDTXSID90198187RefChem:290368DTXCID201206782-[4-(2-fluorophenyl)phenyl]acetic acid2-(2-Fluor-4-biphenylyl)-essigsaeure [German]
Show more names
AKOS BAR-2301OTAVA-BB 13631582'-FLUORO-BIPHENYL-4-ACETIC ACID2-(2-fluorobiphenyl-4-yl)acetic acid2'-Fluoro[1,1'-biphenyl]-4-acetic acid
(2'-fluoro[1,1'-biphenyl]-4-yl)acetic acid2-(2'-Fluoro-[1,1'-biphenyl]-4-yl)acetic acidSCHEMBL1177292HSOKOZJRZALFLQ-UHFFFAOYSA-NAKOS004117068(2'-fluoro-biphenyl-4-yl)-acetic acid(2'-Fluoro[1,1'-biphenyl]4-yl)acetic AcidZ2574936194
Database identifiers
- CAS
5001-99-0- PubChem CID
- 21101
- DTXSID
DTXSID90198187- Nikkaji
- J326.183B
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 259
Physicochemical properties
- Melting point
- 101 · 101-103 °C
- Boiling point
- 381.8 · 381.8±30.0 °C(Predicted)
- Density
- 1.235 · 1.235±0.06 g/cm3(Predicted)
- pka
- 4.2 · 4.20±0.10(Predicted)
Chemistry & industry
Suppliers2 total
上海波以尔化工有限公司021-50182298 021-50180596 · [email protected]
Related reactions
8 records
Compound notes
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