CAS No.646066-73-1,3,4,5-Trifluoro-L-phenylalanine Suppliers

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Basic Information

Molecular Structure:
CAS No.:	646066-73-1
Name:	3,4,5-Trifluoro-L-phenylalanine
Article Data:	1

Formula:	C₉H₈F₃NO₂
Molecular Weight:	219.163
Synonyms:	2-Amino-3-(3,4,5-trifluorophenyl)propionic acid;
Density:	1.46 g/cm³
Boiling Point:	303.8 °C at 760 mmHg
Flash Point:	137.5 °C
PSA:	63.32000
LogP:	1.75860

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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