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| CAS No.: | 903129-78-2 |
|---|---|
| Name: | 6-BROMO-IMIDAZO[1,2-A]PYRIDINE-8-CARBOXYLIC ACID |
| Article Data: | 3 |
| Molecular Structure: | |
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| Formula: | C8H5BrN2O2 |
| Molecular Weight: | 241.04 |
| 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; |
| Density: | 1.899 g/cm3 |
| Hazard Symbols: | Xi |
| Risk Codes: | 43 |
| Safety: | 36/37 |
| PSA: | 54.60000 |
| LogP: | 1.79500 |
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- Total:38 Page 1 of 1 1
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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