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Benzeneacetic acid, a-amino-2-fluoro-

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Name

Benzeneacetic acid, a-amino-2-fluoro-

EINECS 282-253-9
CAS No. 84145-28-8 Density 1.347 g/cm3
PSA 63.32000 LogP 1.61040
Solubility N/A Melting Point 290oC (subl.)(lit.)
Formula C8H8FNO2 Boiling Point 283.1 °C at 760 mmHg
Molecular Weight 169.155 Flash Point 125 °C
Transport Information N/A Appearance N/A
Safety 22-24/25 Risk Codes N/A
Molecular Structure Molecular Structure of 84145-28-8 ((±)-amino(2-fluorophenyl)acetic acid) Hazard Symbols N/A
Synonyms

amino(2-fluorophenyl)acetic acid;2-amino-2-(2-fluorophenyl)acetic acid;benzeneacetic acid, α-amino-2-fluoro-;

Article Data 4

Benzeneacetic acid, a-amino-2-fluoro- Specification

The Benzeneacetic acid, a-amino-2-fluoro-, with the CAS registry number 84145-28-8 and EINECS registry number 282-253-9, has the systematic name of amino(2-fluorophenyl)acetic acid. It belongs to the following product categories: Pharmacetical; Peptide Synthesis; Phenylglycine Derivatives; Unnatural Amino Acid Derivatives. And the molecular formula of the chemical is C8H8FNO2. What's more, while dealing with this chemical, you should not breathe dust and then try to avoid contacting with skin and eyes.

The characteristics of Benzeneacetic acid, a-amino-2-fluoro- are as followings: (1)ACD/LogP: 0.99; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.51; (4)ACD/LogD (pH 7.4): -1.51; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 29.54 Å2; (13)Index of Refraction: 1.565; (14)Molar Refractivity: 40.89 cm3; (15)Molar Volume: 125.5 cm3; (16)Polarizability: 16.21×10-24cm3; (17)Surface Tension: 54.1 dyne/cm; (18)Density: 1.347 g/cm3; (19)Flash Point: 125 °C; (20)Enthalpy of Vaporization: 55.13 kJ/mol; (21)Boiling Point: 283.1 °C at 760 mmHg; (22)Vapour Pressure: 0.00152 mmHg at 25°C. 

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Fc1ccccc1C(N)C(=O)O
(2)InChI: InChI=1/C8H8FNO2/c9-6-4-2-1-3-5(6)7(10)8(11)12/h1-4,7H,10H2,(H,11,12)
(3)InChIKey: CGNMJIBUVDGMIY-UHFFFAOYAY

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