4-Fluoromandelic acid CAS NO.395-33-5

1. Introduction of4-Fluoromandelic acid

The 4-Fluoromandelic acid, with its CAS NO395-33-5, is a kind of powder. It has synonyms ofMandelicacid, p-fluoro-

1. Introduction of 4-Fluoromandelic acid

The 4-Fluoromandelic acid, with its CAS NO 395-33-5, is a kind of powder. It has synonyms of Mandelicacid, p-fluoro- (7CI,8CI);2-(4-Fluorophenyl)-2-hydroxyacetic acid;2-Hydroxy-2-(4-fluorophenyl)acetic acid;NSC 73990 p-Fluoromandelic acid.

2. Properties of 4-Fluoromandelic acid

 (1) ACD/LogP: 0.834  (2) ACD/LogD (pH 5.5): -1.87  (3) ACD/LogD (pH 7.4): -2.86
(4) ACD/BCF (pH 5.5): 1.00  (5) ACD/BCF (pH 7.4): 1.00
(6) ACD/KOC (pH 5.5): 1.00  (7) ACD/KOC (pH 7.4): 1.00
(8) #H bond acceptors: 3  (9) #H bond donors: 2
(10) #Freely Rotating Bonds: 3   (11) Polar Surface Area: 57.53  2
(12) Index of Refraction: 1.565   (13) Molar Refractivity: 38.898 cm3
(14) Molar Volume: 119.34 cm3   (15) Polarizability: 15.42 10-24cm3
(16) Surface Tension: 57.1889991760254 dyne/cm   (17) Density: 1.426 g/cm3
(18) Flash Point: 148.799 °C   (19) Enthalpy of Vaporization: 59.569 kJ/mol
(20) Boiling Point: 322.428 °C at 760 mmHg
 

3. Structure descriptors of 4-Fluoromandelic acid

IUPAC Name: 2-(4-fluorophenyl)-2-hydroxyacetic acid

InChI: InChI=1S/C8H7FO3/c9-6-3-1-5(2-4-6)7(10)8(11)12/h1-4,7,10H,(H,11,12)

InChIKey: RWCMOQXHIDWDDJ-UHFFFAOYSA-N

Canonical SMILES : C1=CC(=CC=C1C(C(=O)O)O)F