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CAS No.: | 944896-42-8 |
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Name: | 6-Bromoimidazo[1,2-a]pyridine-3-carboxylicacid |
Article Data: | 10 |
Molecular Structure: | |
Formula: | C8H5BrN2O2 |
Molecular Weight: | 241.044 |
Synonyms: | Imidazo[1,2-a]pyridine-3-carboxylic acid, 6-bromo-; |
Density: | 1.899 g/cm3 |
PSA: | 54.60000 |
LogP: | 1.79500 |
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The 6-Bromoimidazo[1,2-a]pyridine-3-carboxylicacid with CAS registry number of 944896-42-8 is also known as Imidazo[1,2-a]pyridine-3-carboxylic acid, 6-bromo-. The systematic name and product name are the same. In addition, the formula is C8H5BrN2O2 and the molecular weight is 241.04.
Physical properties about 6-Bromoimidazo[1,2-a]pyridine-3-carboxylicacid are: (1)ACD/LogP: 2.22; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 4; (7)#H bond donors: 1; (8)#Freely Rotating Bonds: 1; (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. SMILES: OC(=O)c1cnc2ccc(Br)cn12
2. InChI: InChI=1/C8H5BrN2O2/c9-5-1-2-7-10-3-6(8(12)13)11(7)4-5/h1-4H,(H,12,13)
3. InChIKey: SDKJLYHPCBMDAD-UHFFFAOYAX
4. Std. InChI: InChI=1S/C8H5BrN2O2/c9-5-1-2-7-10-3-6(8(12)13)11(7)4-5/h1-4H,(H,12,13)
5. Std. InChIKey: SDKJLYHPCBMDAD-UHFFFAOYSA-N