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CAS No.: | 944906-48-3 |
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Name: | 3-Bromo-6-chloro-imidazo [1.2-a] pyrimidine |
Molecular Structure: | |
Formula: | C6H3BrClN3 |
Molecular Weight: | 232.467 |
Synonyms: | 3-bromo-6-chloroimidazo[1,2-a]pyrimidine |
Density: | 2.038 g/cm3 |
PSA: | 30.19000 |
LogP: | 2.14520 |
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The IUPAC name of this chemical is 3-Bromo-6-chloroimidazo[1,2-a]pyrimidine. The CAS registry number is 944906-48-3. In addition, the molecular formula is C6H3BrClN3 and the molecular weight is 232.47. It should be stored in sealed container, and put in a cool and dry place.
Physical properties about this chemical are: (1)ACD/LogP: 1.29; (2)ACD/LogD (pH 5.5): 1.286; (3)ACD/LogD (pH 7.4): 1.286; (4)ACD/BCF (pH 5.5): 5.586; (5)ACD/BCF (pH 7.4): 5.586; (6)ACD/KOC (pH 5.5): 119.233; (7)ACD/KOC (pH 7.4): 119.236; (8)#H bond acceptors: 3; (9)Polar Surface Area: 30.19 Å2; (10)Index of Refraction: 1.768; (11)Molar Refractivity: 47.316 cm3; (12)Molar Volume: 114.091 cm3; (13)Polarizability: 18.757 ×10-24cm3; (14)Surface Tension: 63.801 dyne/cm; (15)Density: 2.038 g/cm3.
You can still convert the following datas into molecular structure:
(1)SMILES: c1c(cn2c(cnc2n1)Br)Cl
(2)InChI: InChI=1/C6H3BrClN3/c7-5-2-10-6-9-1-4(8)3-11(5)6/h1-3H
(3)InChIKey: ZNNVAIVBZLXARY-UHFFFAOYAH