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| CAS No.: | 910649-58-0 |
|---|---|
| Name: | Boronic acid, (6-bromo-2-fluoro-3-pyridinyl)- |
| Molecular Structure: | |
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| Formula: | C5H4BBrFNO2 |
| Molecular Weight: | 219.80 |
| Synonyms: | (6-Bromo-2-fluoro-3-pyridyl)boronic acid; |
| Density: | 1.864 g/cm3 |
| Boiling Point: | 364.654 °C at 760 mmHg |
| Flash Point: | 174.337 °C |
| PSA: | 53.35000 |
| LogP: | -0.33700 |
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Specification
The Boronic acid, (6-bromo-2-fluoro-3-pyridinyl)-, with the CAS registry number 910649-58-0, is also known as (6-Bromo-2-fluoro-3-pyridyl)boronic acid. This chemical's molecular formula is C5H4BBrFNO2 and molecular weight is 219.80. What's more, its IUPAC name is called (6-Bromo-2-fluoropyridin-3-yl)boronic acid.
Physical properties about Boronic acid, (6-bromo-2-fluoro-3-pyridinyl)- are: (1)ACD/LogP: 0.753; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.70; (4)Vapour Pressure: 0 mmHg at 25 °C; (5)ACD/BCF (pH 5.5): 1.96; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 54.54; (8)ACD/KOC (pH 7.4): 5.75; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 53.35 Å2; (13)Index of Refraction: 1.574; (14)Molar Refractivity: 38.921 cm3; (15)Molar Volume: 117.92 cm3; (16)Polarizability: 15.429×10-24cm3; (17)Surface Tension: 58.176 dyne/cm; (18)Density: 1.864 g/cm3; (19)Flash Point: 174.337 °C; (20)Enthalpy of Vaporization: 64.45 kJ/mol; (21)Boiling Point: 364.654 °C at 760 mmHg.
You can still convert the following datas into molecular structure:
(1) SMILES: B(c1ccc(nc1F)Br)(O)O
(2) InChI: InChI=1S/C5H4BBrFNO2/c7-4-2-1-3(6(10)11)5(8)9-4/h1-2,10-11H
(3) InChIKey: YUGZMJMNGRGYRZ-UHFFFAOYSA-N