CAS No.375857-65-1,3-Bromo-7-(trifluoromethyl)imidazo[1,2-a]pyrimidine Suppliers

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Basic Information

Molecular Structure:
CAS No.:	375857-65-1
Name:	3-Bromo-7-(trifluoromethyl)imidazo[1,2-a]pyrimidine
Article Data:	2

Formula:	C₇H₃BrF₃N₃
Molecular Weight:	266.02
Synonyms:	3-bromo-7-trifluoromethylimidazo[1,2-a]pyrimidine
Density:	1.969 g/cm³
Risk Codes:	36/37/38
Safety:	26-36/37/39
PSA:	30.19000
LogP:	2.51060

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Specification

The IUPAC name of 3-Bromo-7-(trifluoromethyl)imidazo[1,2-α]pyrimidine is 3-bromo-7-(trifluoromethyl)imidazo[1,2-a]pyrimidine. With the CAS registry number 375857-65-1, it is also named as Imidazo[1,2-α]pyrimidine,3-bromo-7-(trifluoromethyl)-. In addition, its molecular formula is C₇H₃BrF₃N₃ and molecular weight is 266.02.

The other characteristics of 3-Bromo-7-(trifluoromethyl)imidazo[1,2-α]pyrimidine can be summarized as: (1)ACD/LogP: 0.17; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.167; (4)ACD/LogD (pH 7.4): 0.167; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 29.379; (8)ACD/KOC (pH 7.4): 29.379; (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: 1.62; (14)Molar Refractivity: 47.469 cm³; (15)Molar Volume: 135.113 cm³; (16)Polarizability: 18.818×10^-24cm³; (17)Surface Tension: 43.817 dyne/cm; (18)Density: 1.969 g/cm³.

People can use the following data to convert to the molecule structure.
(1)SMILES: c1cn2c(cnc2nc1C(F)(F)F)Br
(2)InChI: InChI=1/C7H3BrF3N3/c8-5-3-12-6-13-4(7(9,10)11)1-2-14(5)6/h1-3H
(3)InChIKey: KNZLHVPYMPIRLG-UHFFFAOYAI
(4)Std. InChI: InChI=1S/C7H3BrF3N3/c8-5-3-12-6-13-4(7(9,10)11)1-2-14(5)6/h1-3H
(5)Std. InChIKey: KNZLHVPYMPIRLG-UHFFFAOYSA-N