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CAS No.: | 109113-96-4 |
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Name: | 2-(TRIFLUOROMETHYL)IMIDAZOL[1,2-A]PYRAZINE |
Article Data: | 12 |
Molecular Structure: | |
Formula: | C7H4F3N3 |
Molecular Weight: | 187.124 |
Synonyms: | 2-(Trifluoromethyl)imidazo[1,2-a]pyrazine;2-(Trifluormethyl)imidazo[1,2-a]pyrazin; |
Density: | 1.52 g/cm3 |
Risk Codes: | 43 |
Safety: | 36/37 |
PSA: | 30.19000 |
LogP: | 1.74810 |
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The Imidazo[1,2-a]pyrazine,2-(trifluoromethyl)-, with the CAS registry number 109113-96-4, is also known as 2-(Trifluormethyl)imidazo[1,2-a]pyrazin. This chemical's molecular formula is C7H4F3N3 and molecular weight is 187.122. What's more, its systematic name is 2-(trifluoromethyl)imidazo[1,2-a]pyrazine. It is irritant.
Physical properties of Imidazo[1,2-a]pyrazine,2-(trifluoromethyl)- are: (1)ACD/LogP: 0.43; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.43; (4)ACD/BCF (pH 5.5): 1.25; (5)ACD/KOC (pH 5.5): 40.81; (6)#H bond acceptors: 3; (7)#H bond donors: 0; (8)#Freely Rotating Bonds: 0; (9)Polar Surface Area: 30.19 Å2; (10)Index of Refraction: 1.565; (11)Molar Refractivity: 39.91 cm3; (12)Molar Volume: 122.5 cm3; (13)Surface Tension: 37.9 dyne/cm; (14)Density: 1.52 g/cm3.
You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)c1nc2cnccn2c1
(2)InChI: InChI=1S/C7H4F3N3/c8-7(9,10)5-4-13-2-1-11-3-6(13)12-5/h1-4H
(3)InChIKey: GZOZMIOBJGXNBA-UHFFFAOYSA-N