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CAS No.: | 151102-13-5 |
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Name: | 1,2,4-TRIAZOLO[4,3-A]PYRIDINE, 3-(TRIFLUOROMETHYL)- |
Molecular Structure: | |
Formula: | C7H4F3N3 |
Molecular Weight: | 187.122 |
Synonyms: | 3-(Trifluoromethyl)[1,2,4]triazolo[4,3-a]pyridine; |
Density: | 1.52 g/cm3 |
PSA: | 0.00000 |
LogP: | 0.00000 |
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The 3-Trifluoromethyl-[1,2,4]triazolo[4,3-a]pyridine, with the CAS registry number 151102-13-5, is also known as 1,2,4-Triazolo[4,3-a]pyridine, 3-(trifluoromethyl)-. This chemical's molecular formula is C7H4F3N3 and molecular weight is 187.122. What's more, its systematic name is called 3-(Trifluoromethyl)[1,2,4]triazolo[4,3-a]pyridine.
Physical properties about 3-Trifluoromethyl-[1,2,4]triazolo[4,3-a]pyridine are: (1)ACD/LogP: 1.95; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.95; (4)ACD/LogD (pH 7.4): 1.95; (5)ACD/BCF (pH 5.5): 17.85; (6)ACD/BCF (pH 7.4): 17.85; (7)ACD/KOC (pH 5.5): 273.87; (8)ACD/KOC (pH 7.4): 273.88; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 30.19 Å2; (13)Index of Refraction: 1.565; (14)Molar Refractivity: 39.91 cm3; (15)Molar Volume: 122.5 cm3; (16)Surface Tension: 37.9 dyne/cm; (17)Density: 1.52 g/cm3.
You can still convert the following datas into molecular structure:
(1) SMILES: FC(F)(F)c1nnc2ccccn12
(2) InChI: InChI=1/C7H4F3N3/c8-7(9,10)6-12-11-5-3-1-2-4-13(5)6/h1-4H
(3) InChIKey: CPPGKUNXLJPVNO-UHFFFAOYAG