CAS No.5319-42-6,N-O-FLUOROPHENYLGLYCINE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	5319-42-6
Name:	N-O-FLUOROPHENYLGLYCINE
Article Data:	1

Formula:	C₈H₈FNO₂
Molecular Weight:	169.155
Synonyms:	Glycine,N-(o-fluorophenyl)- (7CI,8CI);(2-[Fluoro]phen-1-ylamino)acetic acid;2-[(2-Fluorophenyl)amino]acetic acid;N-(o-Fluorophenyl)glycine;
Density:	1.361 g/cm³
Boiling Point:	350.3 °C at 760 mmHg
Flash Point:	165.7 °C
PSA:	49.33000
LogP:	1.39520

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Specification

The (2-Fluorophenylamino)acetic acid, with the cas registry number 5319-42-6, has the systematic name of N-(2-fluorophenyl)glycine. And the molecular formula of the chemical is C₈H₈FNO₂.

The characteristics of this chemical are as followings: (1)ACD/LogP: 0.58; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.76; (4)ACD/LogD (pH 7.4): -2.53; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 2.24; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 29.54 Å²; (13)Index of Refraction: 1.592; (14)Molar Refractivity: 42.05 cm³; (15)Molar Volume: 124.2 cm³; (16)Polarizability: 16.6×10^-24cm³; (17)Surface Tension: 52.7 dyne/cm; (18)Density: 1.361 g/cm³; (19)Flash Point: 165.7 °C; (20)Enthalpy of Vaporization: 62.78 kJ/mol; (21)Boiling Point: 350.3 °C at 760 mmHg; (22)Vapour Pressure: 1.65E-05 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Fc1ccccc1NCC(=O)O
(2)InChI: InChI=1/C8H8FNO2/c9-6-3-1-2-4-7(6)10-5-8(11)12/h1-4,10H,5H2,(H,11,12)
(3)InChIKey: VCJRLZZBUWJOGG-UHFFFAOYAD