Specification: |
This chemical is called Ethyl 3-bromoimidazo[1,2-a]pyridine-2-carboxylate, and it can also be named as 3-Bromoimidazo[1,2-a]-2-pyridinecarboxylic acid ethyl ester. With the molecular formula of C10H9BrN2O2, its molecular weight is 269.09. The CAS registry number of this chemical is 143982-54-1, and its product categories are Esters; Fused Ring Systems.
Other characteristics of the Ethyl 3-bromoimidazo[1,2-a]pyridine-2-carboxylate can be summarised as followings: (1)ACD/LogP: 3.17; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 38; (6)ACD/BCF (pH 7.4): 38; (7)ACD/KOC (pH 5.5): 471; (8)ACD/KOC (pH 7.4): 471; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 43.6 Å2; (13)Index of Refraction: 1.637; (14)Molar Refractivity: 60.153 cm3; (15)Molar Volume: 167.539 cm3; (16)Polarizability: 23.847×10-24cm3; (17)Surface Tension: 50.038 dyne/cm; (18)Density: 1.606 g/cm3.
You can still convert the following datas into molecular structure:
(1)SMILES: CCOC(=O)c1nc2ccccn2c1Br
(2)InChI: InChI=1/C10H9BrN2O2/c1-2-15-10(14)8-9(11)13-6-4-3-5-7(13)12-8/h3-6H,2H2,1H3
(3)InChIKey: MPILHKPXTMEIMG-UHFFFAOYAP
(4)Std. InChI: InChI=1S/C10H9BrN2O2/c1-2-15-10(14)8-9(11)13-6-4-3-5-7(13)12-8/h3-6H,2H2,1H3
(5)Std. InChIKey: MPILHKPXTMEIMG-UHFFFAOYSA-N
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