2-(2-Fluoro-(1,1'-biphenyl)-4-yl)acetic acid

HCID 11831237CAS 5001-96-7

Substructure search Find similar structures

Basic information

Standard SMILES: O=C(O)Cc1ccc(-c2ccccc2)c(F)c1
InChIKey: ZLLZRKQQNGBXRD-UHFFFAOYSA-N
Molecular formula: C14H11FO2
Average molar mass: 230.23 g/mol
Monoisotopic mass: 230.07430781

Names & identifiers

Preferred name: 2-(2-Fluoro-(1,1'-biphenyl)-4-yl)acetic acid
IUPAC: 2-(3-fluoro-4-phenylphenyl)acetic acid
English name: (2-Fluoro-4-biphenyl)acetic acid
Molecular formula: C14H11FO2
Molecular weight: 230.23

Names & synonyms

5001-96-72-(2-Fluoro-[1,1'-biphenyl]-4-yl)acetic acidDTXSID504741362-(2-Fluoro-(1,1'-biphenyl)-4-yl)acetic acid2-{2-fluoro-[1,1'-biphenyl]-4-yl}acetic acidRefChem:1060869DTXCID10424950(2-Fluoro-4-biphenyl)acetic Acid2-(3-fluoro-4-phenylphenyl)acetic acid[1,1'-Biphenyl]-4-acetic acid, 2-fluoro-Desmethylflurbiprofen(2-Fluorobiphenyl-4-Yl)acetic Acid

Show more names

Flurbiprofen Impurity 842-Fluoro-4-biphenylylacetic Acid2-(3-fluoro-4-phenylphenyl)aceticaci2-Fluoro-[1,1'-Biphenyl]-4-acetic Acid2-(2-fluoro-[1,1'-biphenyl]-4-yl)acetic acid (Flurbiprofen Impurity）2-(2-fluoro-[1,1'-biphenyl]-4-yl)acetic acid? (Flurbiprofen Impurity）

MFCD098406222-Fluorobiphenyl-4-acetic acidCHEMBL2152245Flurbiprofen Impurity 182-(3-fluoro-4-phenyl-phenyl)acetic Acid2-Fluoro-4-biphenylylacetic Acid; 2-Fluoro-4-biphenylacetic Acid; 2-Fluoro-[1,1'-Biphenyl]-4-acetic Acid;Des-methylflurbiprofen2-(2-fluorobiphenyl-4-yl)acetic acid

Database identifiers

CAS: 5001-96-7
PubChem CID: 11831237
DTXSID: DTXSID50474136
ChEMBL: CHEMBL2152245

Properties

Computed structural properties

XLogP: 3.6
Topological polar surface area: 37.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 17
Formal charge: 0
Complexity: 261

Physicochemical properties

Melting point: 140 · 140-142°C
storage temp.: Sealed in dry,Room Temperature
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 264 · P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501

Safety & regulation

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H315-H319-H335
Precautionary statements: P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501