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6-Bromoimidazo[1,2-a]pyridine-8-carboxylic acid

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Name

6-Bromoimidazo[1,2-a]pyridine-8-carboxylic acid

EINECS N/A
CAS No. 903129-78-2 Density 1.899 g/cm3
PSA 54.60000 LogP 1.79500
Solubility N/A Melting Point N/A
Formula C8H5BrN2O2 Boiling Point N/A
Molecular Weight 241.04 Flash Point N/A
Transport Information N/A Appearance N/A
Safety 36/37 Risk Codes 43
Molecular Structure Molecular Structure of 903129-78-2 (6-BROMO-IMIDAZO[1,2-A]PYRIDINE-8-CARBOXYLIC ACID) Hazard Symbols Xi
Synonyms

Imidazo[1,2-a]pyridine-8-carboxylic acid, 6-bromo-;6-bromo-1H-imidazo[1,2-a]pyridine-8-carboxylic acid;Bromoimidazopyridinecarboxylic acid;MFCD08448156;

Article Data 3

6-Bromoimidazo[1,2-a]pyridine-8-carboxylic acid Specification

The 6-Bromoimidazo[1,2-a]pyridine-8-carboxylic acid, with the CAS registry number 903129-78-2, is also called Imidazo[1,2-a]pyridine-8-carboxylic acid, 6-bromo-, or Bromoimidazopyridinecarboxylic acid. And the molecular formula of the chemical is C8H5BrN2O2.

The characteristics of 6-Bromoimidazo[1,2-a]pyridine-8-carboxylic acid are as followings: (1)ACD/LogP: 2.38; (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: 20.053×10-24cm3; (15)Surface Tension: 66.435 dyne/cm; (16)Density: 1.899 g/cm3.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: c1cn2cc(cc(c2n1)C(=O)O)Br
(2)InChI: InChI=1/C8H5BrN2O2/c9-5-3-6(8(12)13)7-10-1-2-11(7)4-5/h1-4H,(H,12,13)
(3)InChIKey: XPFDJWFDQORPQO-UHFFFAOYAY

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