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CAS No.: | 1000017-94-6 |
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Name: | 3-Chloroimidazo[1,2-a]pyridine-2-carboxylic acid |
Molecular Structure: | |
Formula: | C8H5ClN2O2 |
Molecular Weight: | 196.5905 |
Synonyms: | 3-Chloro-4-hydroimidazo[1, 2-a]pyridine-2-carboxylic acid; |
Density: | 1.58 g/cm3 |
Melting Point: | 203-205℃ |
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The 3-Chloroimidazo[1, 2-a]pyridine-2-carboxylic acid, with the CAS registry number 1000017-94-6, is also known as 3-Chloro-4-hydroimidazo[1, 2-a]pyridine-2-carboxylic acid. This chemical's molecular formula is C8H5ClN2O2 and molecular weight is 196.5905. What's more, its systematic name is 3-Chloroimidazo[1, 2-a]pyridine-2-carboxylic acid.
Physical properties about 3-Chloroimidazo[1, 2-a]pyridine-2-carboxylic acid are: (1)ACD/LogP: 1.48; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 54.6 Å2; (7)Index of Refraction: 1.696; (8)Molar Refractivity: 47.62 cm3; (9)Molar Volume: 123.6 cm3; (10)Polarizability: 18.88×10-24 cm3; (11)Surface Tension: 62.4 dyne/cm; (12)Density: 1.58 g/cm3.
You can still convert the following datas into molecular structure:
(1) SMILES: c1ccn2c(c1)nc(c2Cl)C(=O)O
(2) InChI: InChI=1/C8H5ClN2O2/c9-7-6(8(12)13)10-5-3-1-2-4-11(5)7/h1-4H,(H,12,13)
(3) InChIKey: JBQOFBOMIUELMB-UHFFFAOYAR