(3'-Fluoro-biphenyl-4-yl)-acetic acid supplier

Name
(3'-Fluoro-biphenyl-4-yl)-acetic acid
EINECS
CAS No. 5002-38-0
Article Data5
CAS DataBase
Density 1.235 g/cm³
Solubility
Melting Point
Formula C₁₄H₁₁FO₂
Boiling Point 390.7 °C at 760 mmHg
Molecular Weight 230.239
Flash Point 190.1 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4-Biphenyl-3'-fluoro-acetic acid;
PSA 37.30000
LogP 3.11980

(3'-Fluoro-biphenyl-4-yl)-acetic acid Specification

The (3'-Fluoro-biphenyl-4-yl)-acetic acid, with the CAS registry number of 5002-38-0, is also known as 4-Biphenyl-3'-fluoro-acetic acid. This chemical's molecular formula is C₁₄H₁₁FO₂ and molecular weight is 230.23. What's more, its IUPAC name is 2-[4-(3-Fluorophenyl)phenyl]acetic acid.

Physical properties about (3'-Fluoro-biphenyl-4-yl)-acetic acid are: (1)ACD/LogP: 3.52; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.23; (4)ACD/LogD (pH 7.4): 0.45; (5)ACD/BCF (pH 5.5): 14.44; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 101.69; (8)ACD/KOC (pH 7.4): 1.69; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 26.3 Å²; (13)Index of Refraction: 1.579; (14)Molar Refractivity: 61.95 cm³; (15)Molar Volume: 186.3 cm³; (16)Polarizability: 24.55×10^-24 cm³; (17)Surface Tension: 46.2 dyne/cm; (18)Density: 1.235 g/cm³; (19)Flash Point: 190.1 °C; (20)Enthalpy of Vaporization: 67.53 kJ/mol; (21)Boiling Point: 390.7 °C at 760 mmHg; (22)Vapour Pressure: 8.33E-07 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Fc2cc(c1ccc(cc1)CC(=O)O)ccc2
(2) InChI: InChI=1/C14H11FO2/c15-13-3-1-2-12(9-13)11-6-4-10(5-7-11)8-14(16)17/h1-7,9H,8H2,(H,16,17)
(3) InChIKey: UCTPBVNGTSRBFG-UHFFFAOYAG

Product Name

(3'-Fluoro-biphenyl-4-yl)-acetic acid

(3'-Fluoro-biphenyl-4-yl)-acetic acid Specification

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