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| CAS No.: | 947533-21-3 |
|---|---|
| Name: | 2-Acetamidopyridine-5-boronic acid |
| Molecular Structure: | |
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| Formula: | C7H9BN2O3 |
| Molecular Weight: | 179.96896 |
| Synonyms: | 2-Acetamidopyridine-5-boronic acid; |
| Density: | 1.3 g/cm3 |
| Hazard Symbols: | Xn |
| Risk Codes: | 22 |
| PSA: | 82.45000 |
| LogP: | -1.20720 |
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Specification
The 6-Acetamidopyridine-3-boronic acid, with its CAS registry number 947533-21-3, has its systematic name of (6-acetamido-3-pyridyl)boronic acid. With its molecular formula of C7H9BN2O3, it has other name of 2-Acetamidopyridine-5-boronic acid.
Physical properties of 6-Acetamidopyridine-3-boronic acid: (1)#H bond acceptors: 5; (2)#H bond donors: 3; (3)#Freely Rotating Bonds: 3; (4)Polar Surface Area: 82.45 Å2; (5)Index of Refraction: 1.554; (6)Molar Refractivity: 44.1 cm3; (7)Molar Volume: 137.5 cm3; (8)Polarizability: 17.48×10-24cm3; (9)Surface Tension: 57.7 dyne/cm; (10)Density: 1.3 g/cm3.
You can still convert the following datas into molecular structure:
(1)SMILES:B(c1ccc(nc1)NC(=O)C)(O)O
(2)InChI:InChI=1/C7H9BN2O3/c1-5(11)10-7-3-2-6(4-9-7)8(12)13/h2-4,12-13H,1H3,(H,9,10,11)
(3)InChIKey:RCNAHNBBRFXANB-UHFFFAOYAO