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Imidazo[1,2-a]pyridine-2-carboxylicacid, 6-bromo-, hydrobromide (1:1)

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Imidazo[1,2-a]pyridine-2-carboxylicacid, 6-bromo-, hydrobromide (1:1)

EINECS
CAS No. 725234-40-2 Density 1.89 g/cm3
Solubility Melting Point
Formula C8H5BrN2O2 Boiling Point
Molecular Weight 245.03 Flash Point
Transport Information Appearance
Safety Risk Codes
Molecular Structure Molecular Structure of 725234-40-2 (Imidazo[1,2-a]pyridine-2-carboxylicacid, 6-bromo-, hydrobromide (1:1)) Hazard Symbols
Synonyms

Imidazo[1,2-a]pyridine-2-carboxylicacid, 6-bromo-, monohydrobromide (9CI);6-bromo-4-hydroimidazo[1,2-a]pyridine-2-carboxylic acid;6-bromoimidazo[1,2-a]pyridine-2-carboxylic acid;T56 AN DNJ CVQ HE;

 

Imidazo[1,2-a]pyridine-2-carboxylicacid, 6-bromo-, hydrobromide (1:1) Specification

The Imidazo[1,2-a]pyridine-2-carboxylicacid, 6-bromo-, hydrobromide (1:1), with the CAS registry number 725234-40-2, is also known as 6-Bromo-4-hydroimidazo[1,2-a]pyridine-2-carboxylic acid. This chemical's molecular formula is C8H5BrN2O2 and molecular weight is 241.04. What's more, its systematic name is 6-bromoimidazo[1,2-a]pyridine-2-carboxylic acid.

Physical properties of Imidazo[1,2-a]pyridine-2-carboxylicacid, 6-bromo-, hydrobromide (1:1) are: (1)ACD/LogP: 1.77; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.9; (4)ACD/LogD (pH 7.4): -1.35; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 43.6 Å2; (13)Index of Refraction: 1.728; (14)Molar Refractivity: 50.58 cm3; (15)Molar Volume: 126.9 cm3; (16)Polarizability: 20.05×10-24 cm3; (17)Surface Tension: 66.4 dyne/cm; (18)Density: 1.89 g/cm3.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: Brc1cn2cc(nc2cc1)C(=O)O
(2)InChI: InChI=1/C8H5BrN2O2/c9-5-1-2-7-10-6(8(12)13)4-11(7)3-5/h1-4H,(H,12,13)
(3)InChIKey: FQBFPVLZLNEQOE-UHFFFAOYAK

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