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CAS No.: | 1187822-25-8 |
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Name: | 2-Phenylimidazo[1,2-a]pyridine-6-boronic acid |
Molecular Structure: | |
Formula: | C13H11BN2O2 |
Molecular Weight: | 238.05 |
Synonyms: | (2-Phenylimidazo[1,2-a]pyridin-6-yl)boronic acid; |
Density: | 1.244 g/cm3 |
PSA: | 57.76000 |
LogP: | 0.68110 |
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The 2-Phenylimidazo[1,2-a]pyridine-6-boronic acid has the CAS registry number 1187822-25-8. This chemical's molecular formula is C13H11BN2O2 and molecular weight is 238.05. What's more, its systematic name is (2-Phenylimidazo[1,2-a]pyridin-6-yl)boronic acid.
Physical properties of 2-Phenylimidazo[1,2-a]pyridine-6-boronic acid are: (1)ACD/LogP: 2.62; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.004; (4)ACD/LogD (pH 7.4): 2.382; (5)ACD/BCF (pH 5.5): 13.938; (6)ACD/BCF (pH 7.4): 33.321; (7)ACD/KOC (pH 5.5): 152.911; (8)ACD/KOC (pH 7.4): 365.541; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 57.76 Å2; (13)Index of Refraction: 1.633; (14)Molar Refractivity: 68.358 cm3; (15)Molar Volume: 191.404 cm3; (16)Polarizability: 27.099×10-24 cm3; (17)Surface Tension: 50.215 dyne/cm; (18)Density: 1.244 g/cm3.
You can still convert the following datas into molecular structure:
(1)SMILES: B(c1ccc2nc(cn2c1)c3ccccc3)(O)O
(2)InChI: InChI=1S/C13H11BN2O2/c17-14(18)11-6-7-13-15-12(9-16(13)8-11)10-4-2-1-3-5-10/h1-9,17-18H
(3)InChIKey: DLVLGGPKNQEEKJ-UHFFFAOYSA-N