CAS No.51632-33-8,2-(4-FLUOROPHENYL)ISOVALERIC ACID Suppliers

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Basic Information

Molecular Structure:
CAS No.:	51632-33-8
Name:	2-(4-FLUOROPHENYL)ISOVALERIC ACID
Article Data:	4

Formula:	C₁₁H₁₃FO₂
Molecular Weight:	196.22
Synonyms:	4-Fluoro-α-isopropylphenylaceticacid;2-(4-Fluorophenyl)-3-methylbutyric acid;2-(p-Fluorophenyl)-3-methylbutyricacid;
Density:	1.143 g/cm³
Boiling Point:	283.871 °C at 760 mmHg
Flash Point:	125.481 °C
PSA:	37.30000
LogP:	2.64990

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Specification

The Benzeneacetic acid, 4-fluoro-α-(1-methylethyl)-, with the CAS registry number 51632-33-8, is also known as 2-(p-Fluorophenyl)-3-methylbutyricacid. This chemical's molecular formula is C₁₁H₁₃FO₂ and molecular weight is 196.22. What's more, its systematic name is 2-(4-Fluorophenyl)-3-methylbutanoic acid.

Physical properties about Benzeneacetic acid, 4-fluoro-α-(1-methylethyl)- are: (1)ACD/LogP: 2.85; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 0; (5)ACD/BCF (pH 5.5): 4; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 40; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 37.3 Å²; (13)Index of Refraction: 1.508; (14)Molar Refractivity: 51.221 cm³; (15)Molar Volume: 171.731 cm³; (16)Polarizability: 20.305×10^-24 cm³; (17)Surface Tension: 38.65 dyne/cm; (18)Density: 1.143 g/cm³; (19)Flash Point: 125.481 °C; (20)Enthalpy of Vaporization: 55.22 kJ/mol; (21)Boiling Point: 283.871 °C at 760 mmHg; (22)Vapour Pressure: 0.001 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Fc1ccc(cc1)C(C(=O)O)C(C)C
(2) InChI: InChI=1/C11H13FO2/c1-7(2)10(11(13)14)8-3-5-9(12)6-4-8/h3-7,10H,1-2H3,(H,13,14)
(3) InChIKey: YBQLHBYGMUXCEW-UHFFFAOYAE