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| CAS No.: | 440680-34-2 |
|---|---|
| Name: | 6-Bromopyridine-2-boronic acid |
| Molecular Structure: | |
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| Formula: | C5H5BBrNO2 |
| Molecular Weight: | 201.815 |
| Synonyms: | Boronicacid, (6-bromo-2-pyridinyl)- (9CI);(6-Bromo-2-pyridinyl)boronic acid;6-Bromo-2-pyridylboronic acid; |
| Density: | 1.78 g/cm3 |
| Boiling Point: | 375.8 °C at 760 mmHg |
| Flash Point: | 181.1 °C |
| PSA: | 53.35000 |
| LogP: | -0.47610 |
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Specification
The 6-Bromopyridine-2-boronic acid is an organic compound with the formula C5H5BBrNO2. The IUPAC name of this chemical is (6-bromopyridin-2-yl)boronic acid. With the CAS registry number 440680-34-2, it is also named as boronic acid, B-(6-bromo-2-pyridinyl)-. The product's categories are Boronicacid; Pyridines.
Physical properties about 6-Bromopyridine-2-boronic acid are: (1)ACD/LogP: 0.90; (2)ACD/LogD (pH 5.5): 0.8; (3)ACD/LogD (pH 7.4): -0.42; (4)ACD/BCF (pH 5.5): 2.28; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 58.89; (7)ACD/KOC (pH 7.4): 3.51; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 31.35 Å2; (12)Index of Refraction: 1.602; (13)Molar Refractivity: 38.8 cm3; (14)Molar Volume: 113 cm3; (15)Polarizability: 15.38×10-24cm3; (16)Surface Tension: 62.7 dyne/cm; (17)Density: 1.78 g/cm3; (18)Flash Point: 181.1 °C; (19)Enthalpy of Vaporization: 65.76 kJ/mol; (20)Boiling Point: 375.8 °C at 760 mmHg; (21)Vapour Pressure: 2.57E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Brc1nc(B(O)O)ccc1
(2)InChI: InChI=1/C5H5BBrNO2/c7-5-3-1-2-4(8-5)6(9)10/h1-3,9-10H
(3)InChIKey: AUOJYGQPHHRLAO-UHFFFAOYAX
(4)Std. InChI: InChI=1S/C5H5BBrNO2/c7-5-3-1-2-4(8-5)6(9)10/h1-3,9-10H
(5)Std. InChIKey: AUOJYGQPHHRLAO-UHFFFAOYSA-N