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

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Name

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

EINECS N/A
CAS No. 603311-76-8 Density 1.54 g/cm3
PSA 43.60000 LogP 2.20240
Solubility N/A Melting Point N/A
Formula C11H11BrN2O2 Boiling Point N/A
Molecular Weight 283.12 Flash Point N/A
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 603311-76-8 (ethyl 2-(6-bromoH-imidazo[1,2-a]pyridin-3-yl)acetate) Hazard Symbols N/A
Synonyms

ethyl 2-(6-bromoH-imidazo[1,2-a]pyridin-3-yl)acetate;Ethyl 2-(6-bromoimidazo[1,2-a]pyridin-3-yl)acetate;2-(6-Bromoimidazo[1,2-a]pyridin-3-yl)acetic acid ethyl ester;2-a]pyridin-3-yl)acetate;ethyl 2-(6-broMoH-iMidazo[1;ethyl 2-(6-broMoiMidazo[3,2-a]pyridin-3-yl)acetate;IMidazo[1,2-a]lpyridine-3-aceticacid,6-broMoethyl ester;Imidazo[1,2-a]pyridine-3-aceticacid,6-bromoethyl ester

 

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