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1251033-23-4
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Basic Information
CAS No.: 1251033-23-4
Name: Ethyl 3-bromoimidazo[1,2-a]pyrimidine-7-carboxylate
Article Data: 2
Molecular Structure:
Molecular Structure of 1251033-23-4 (Ethyl 3-bromoimidazo[1,2-a]pyrimidine-7-carboxylate)
Formula: C9H8BrN3O2
Molecular Weight: 268.98
Synonyms: ethyl 3-bromoimidazo[1,2-a]pyrimidine-7-carboxylate;3-Bromoimidazo[1,2-a]pyrimidine-7-carboxylic acid ethyl ester;Imidazo[1,2-a]pyrimidine-7-carboxylic acid, 3-bromo-, ethyl ester
Density: 1.729 g/cm3
PSA: 56.49000
LogP: 1.66850
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Specification

The CAS registry number of Ethyl 3-bromoimidazo[1,2-a]pyrimidine-7-carboxylate is 1251033-23-4. This chemical's molecular formula is C9H8BrN3O2 and molecular weight is 268.98. What's more, its systematic name is the same with its product name.

Physical properties about Ethyl 3-bromoimidazo[1,2-a]pyrimidine-7-carboxylate are: (1)ACD/LogP: 3.091; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.09; (4)ACD/LogD (pH 7.4): 3.09; (5)ACD/BCF (pH 5.5): 131.53; (6)ACD/BCF (pH 7.4): 131.53; (7)ACD/KOC (pH 5.5): 1143.93; (8)ACD/KOC (pH 7.4): 1143.94; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 56.49 Å2; (13)Index of Refraction: 1.674; (14)Molar Refractivity: 58.599 cm3; (15)Molar Volume: 156.162 cm3; (16)Polarizability: 23.23×10-24cm3; (17)Surface Tension: 55.769 dyne/cm; (18)Density: 1.729 g/cm3.

You can still convert the following datas into molecular structure:
(1) SMILES: CCOC(=O)c1ccn2c(cnc2n1)Br
(2) InChI: InChI=1S/C9H8BrN3O2/c1-2-15-8(14)6-3-4-13-7(10)5-11-9(13)12-6/h3-5H,2H2,1H3
(3) InChIKey: GJGGLTAJGAFPBP-UHFFFAOYSA-N