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CAS No.: | 749847-57-2 |
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Name: | L-2,4,5-TRIFLUOROPHE |
Molecular Structure: | |
Formula: | C9H8F3NO2 |
Molecular Weight: | 219.16 |
Synonyms: | L-2,4,5-Trifluorophenylalanine; |
Density: | 1.46 g/cm3 |
Boiling Point: | 304.1 °C at 760 mmHg |
Flash Point: | 137.7 °C |
PSA: | 63.32000 |
LogP: | 1.75860 |
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The L-Phenylalanine,2,4,5-trifluoro-, with the CAS registry number of 749847-57-2, is also known as L-2,4,5-Trifluorophenylalanine. It belongs to the product categories of Phenylalanine analogs and other aromatic alpha amino acids. Its molecular formula is C9H8F3NO2 and molecular weight is 219.16. What's more, its systematic name is 2,4,5-Trifluoro-L-phenylalanine.
Physical properties about the L-Phenylalanine,2,4,5-trifluoro- are: (1)ACD/LogP: 1.28; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.21; (4)ACD/LogD (pH 7.4): -1.25; (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: 137.7 °C; (19)Enthalpy of Vaporization: 57.49 kJ/mol; (20)Boiling Point: 304.1 °C at 760 mmHg; (21)Vapour Pressure: 0.000392 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Fc1cc(c(F)cc1F)C[C@@H](C(=O)O)N
(2) InChI: InChI=1/C9H8F3NO2/c10-5-3-7(12)6(11)1-4(5)2-8(13)9(14)15/h1,3,8H,2,13H2,(H,14,15)/t8-/m0/s1
(3) InChIKey: SWJFYJHCOWRRLR-QMMMGPOBBU