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CAS No.: | 342613-63-2 |
---|---|
Name: | methyl 3-bromoH-imidazo[1,2-a]pyridine-7-carboxylate |
Molecular Structure: | |
Formula: | C9H7BrN2O2 |
Molecular Weight: | 255.071 |
Synonyms: | Methyl 3-bromoimidazo[1,2-a]pyridine-7-carboxylate; |
Density: | 1.68 g/cm3 |
Melting Point: | 156-157℃ |
PSA: | 43.60000 |
LogP: | 1.88340 |
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The Imidazo[1,2-a]pyridine-7-carboxylicacid, 3-bromo-, methyl ester is an organic compound with the formula C9H7BrN2O2. With the CAS registry number 342613-63-2, its IUPAC name is Methyl 3-bromoimidazo[1,2-a]pyridine-7-carboxylate.
Physical properties of Imidazo[1,2-a]pyridine-7-carboxylicacid, 3-bromo-, methyl ester: (1)ACD/LogP: 2.27; (2)ACD/LogD (pH 5.5): 2.27; (3)ACD/LogD (pH 7.4): 2.27; (4)ACD/BCF (pH 5.5): 31.48; (5)ACD/BCF (pH 7.4): 31.49; (6)ACD/KOC (pH 5.5): 411.05; (7)ACD/KOC (pH 7.4): 411.11; (8)#H bond acceptors: 4; (9)#Freely Rotating Bonds: 2; (10)Index of Refraction: 1.654; (11)Molar Refractivity: 55.54 cm3; (12)Molar Volume: 151.4 cm3; (13)Surface Tension: 52.1 dyne/cm; (14)Density: 1.68 g/cm3.
You can still convert the following datas into molecular structure:
(1)SMILES: COC(=O)c1ccn2c(c1)ncc2Br
(2)InChI: InChI=1/C9H7BrN2O2/c1-14-9(13)6-2-3-12-7(10)5-11-8(12)4-6/h2-5H,1H3
(3)InChIKey: VFFFBWRUZMAHFS-UHFFFAOYAU