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Ethyl 2-(6-bromoimidazo[1,2-a]pyridin-3-yl)acetate (603311-76-8)

Identification
Name:Ethyl 2-(6-bromoimidazo[1,2-a]pyridin-3-yl)acetate
Synonyms:2-(6-Bromoimidazo[1,2-a]pyridin-3-yl)acetic acid ethyl ester
CAS:603311-76-8
Molecular Formula: C11H11BrN2O2
Molecular Weight: 283.12
InChI: InChI=1/C11H11BrN2O2/c1-2-16-11(15)5-9-6-13-10-4-3-8(12)7-14(9)10/h3-4,6-7H,2,5H2,1H3
Molecular Structure: (C11H11BrN2O2) 2-(6-Bromoimidazo[1,2-a]pyridin-3-yl)acetic acid ethyl ester
Properties
Density:1.54
Refractive index:1.622
Specification:

The Ethyl 2-(6-bromoimidazo[1,2-a]pyridin-3-yl)acetate, with the CAS registry number 603311-76-8, has the systematic name of imidazo[1,2-a]pyridine-3-acetic acid, 6-bromo-, ethyl ester. It belongs to the category of Chiral Chemicals. And the molecular formula of the chemical is C11H11BrN2O2.

The characteristics of this chemical are as followings: (1)ACD/LogP: 2.38; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.33; (4)ACD/LogD (pH 7.4): 2.37; (5)#H bond acceptors: 4; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 4; (8)Polar Surface Area: 43.6 Å2; (9)Index of Refraction: 1.622; (10)Molar Refractivity: 64.76 cm3; (11)Molar Volume: 183.6 cm3; (12)Polarizability: 25.67×10-24cm3; (13)Surface Tension: 48.3 dyne/cm; (14)Density: 1.54 g/cm3.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: CCOC(=O)Cc1cnc2ccc(Br)cn12
(2)InChI: InChI=1/C11H11BrN2O2/c1-2-16-11(15)5-9-6-13-10-4-3-8(12)7-14(9)10/h3-4,6-7H,2,5H2,1H3
(3)InChIKey: NXSULFYVLBGQDA-UHFFFAOYAT

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