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1026201-45-5

Basic Information
CAS No.: 1026201-45-5
Name: Imidazo[1,2-a]pyridine-2-carboxylic acid, 8-bromo-
Article Data: 2
Cas Database
Molecular Structure:
Molecular Structure of 1026201-45-5 (Imidazo[1,2-a]pyridine-2-carboxylic acid, 8-bromo-)
Formula: C8H5BrN2O2
Molecular Weight: 241.04
Synonyms: 8-Bromo-imidazo[1,2-a]pyridine-2-carboxylic acid;8-Bromoimidazo[1,2-a]pyridine-2-carboxylic acid;
EINECS: N/A
Density: 1.899 g/cm3
Melting Point: N/A
Boiling Point: N/A
Flash Point: N/A
Solubility: N/A
Appearance: N/A
Hazard Symbols: N/A
Risk Codes: N/A
Safety:
Transport Information: N/A
PSA: 54.60000
LogP: 1.79500
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Specification

The Imidazo[1,2-a]pyridine-2-carboxylic acid, 8-bromo-, with the CAS registry number 1026201-45-5, is also known as 8-Bromo-imidazo[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 8-Bromoimidazo[1,2-a]pyridine-2-carboxylic acid.

Physical properties of Imidazo[1,2-a]pyridine-2-carboxylic acid, 8-bromo- are: (1)ACD/LogP: 2.22; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 4; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 54.6 Å2; (11)Index of Refraction: 1.728; (12)Molar Refractivity: 50.583 cm3; (13)Molar Volume: 126.935 cm3; (14)Polarizability: 20.053×10-24 cm3; (15)Surface Tension: 66.435 dyne/cm; (16)Density: 1.899 g/cm3.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CN2C=C(N=C2C(=C1)Br)C(=O)O
(2)InChI: InChI=1S/C8H5BrN2O2/c9-5-2-1-3-11-4-6(8(12)13)10-7(5)11/h1-4H,(H,12,13)
(3)InChIKey: OREYKECANVXONJ-UHFFFAOYSA-N