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L-Phenylalanine,3,4,5-trifluoro-

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Name

L-Phenylalanine,3,4,5-trifluoro-

EINECS N/A
CAS No. 646066-73-1 Density 1.46 g/cm3
PSA 63.32000 LogP 1.75860
Solubility N/A Melting Point N/A
Formula C9H8F3NO2 Boiling Point 303.8 °C at 760 mmHg
Molecular Weight 219.163 Flash Point 137.5 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 646066-73-1 (3,4,5-Trifluoro-L-phenylalanine) Hazard Symbols N/A
Synonyms

2-Amino-3-(3,4,5-trifluorophenyl)propionic acid;

Article Data 1

L-Phenylalanine,3,4,5-trifluoro- Specification

The L-Phenylalanine,3,4,5-trifluoro-, with the CAS registry number of 646066-73-1, is also known as 2-Amino-3-(3,4,5-trifluorophenyl)propionic acid. Its molecular formula is C9H8F3NO2 and molecular weight is 219.1605. What's more, its systematic name is 3,4,5-Trifluorophenylalanine.

Physical properties about the L-Phenylalanine,3,4,5-trifluoro- are: (1)ACD/LogP: 1.13; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.37; (4)ACD/LogD (pH 7.4): -1.39; (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: 4; (12)Polar Surface Area: 29.54 Å2; (13)Index of Refraction: 1.518; (14)Molar Refractivity: 45.47 cm3; (15)Molar Volume: 150 cm3; (16)Surface Tension: 47.1 dyne/cm; (17)Density: 1.46 g/cm3; (18)Flash Point: 137.5 °C; (19)Enthalpy of Vaporization: 57.45 kJ/mol; (20)Boiling Point: 303.8 °C at 760 mmHg; (21)Vapour Pressure: 0.0004 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Fc1cc(cc(F)c1F)CC(C(=O)O)N
(2) InChI: InChI=1/C9H8F3NO2/c10-5-1-4(2-6(11)8(5)12)3-7(13)9(14)15/h1-2,7H,3,13H2,(H,14,15)
(3) InChIKey: SFKCVRLOYOHGFK-UHFFFAOYAL

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