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354548-73-5

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Basic Information
CAS No.: 354548-73-5
Name: 3-BROMOIMIDAZO[1,2-A]PYRIDINE-2-CARBOXYLIC ACID
Molecular Structure:
Molecular Structure of 354548-73-5 (3-BROMOIMIDAZO[1,2-A]PYRIDINE-2-CARBOXYLIC ACID)
Formula: C8H5BrN2O2
Molecular Weight: 241.044
Synonyms: 3-Bromoimidazo[1,2-a]-2-pyridinecarboxylic acid;3-Bromoimidazo[1,2-a]pyridine-2-carboxylic acid;3-Bromo-4-hydroimidazo[1,2-a]pyridine-2-carboxylic acid;
EINECS: 604-604-1
Density: 1.899 g/cm3
Hazard Symbols: Xi
Risk Codes: 36
Safety: 26
PSA: 54.60000
LogP: 1.79500
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Specification

The Imidazo[1,2-a]pyridine-2-carboxylicacid, 3-bromo-, with the CAS registry number 354548-73-5, is also known as 3-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 3-bromoimidazo[1,2-a]pyridine-2-carboxylic acid. 

Physical properties of Imidazo[1,2-a]pyridine-2-carboxylicacid, 3-bromo- are: (1)ACD/LogP: 1.94; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/KOC (pH 5.5): 1; (5)#H bond acceptors: 4; (6)#H bond donors: 1; (7)#Freely Rotating Bonds: 1; (8)Polar Surface Area: 54.6 Å2; (9)Index of Refraction: 1.728; (10)Molar Refractivity: 50.583 cm3; (11)Molar Volume: 126.935 cm3; (12)Surface Tension: 66.435 dyne/cm; (13)Density: 1.899 g/cm3.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC2=NC(=C(N2C=C1)Br)C(=O)O
(2)InChI: InChI=1S/C8H5BrN2O2/c9-7-6(8(12)13)10-5-3-1-2-4-11(5)7/h1-4H,(H,12,13)
(3)InChIKey: UHBDEEITGHGHKK-UHFFFAOYSA-N