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CAS No.: | 1072952-45-4 |
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Name: | 2-Fluoro-5-methylpyridine-3-boronic acid |
Molecular Structure: | |
Formula: | C6H7BFNO2 |
Molecular Weight: | 154.936 |
Synonyms: | Boronic acid, B-(2-fluoro-5-methyl-3-pyridinyl)-; |
Density: | 1.282 g/cm3 |
Boiling Point: | 344.457 °C at 760 mmHg |
Flash Point: | 162.122 °C |
PSA: | 53.35000 |
LogP: | -0.79110 |
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The 2-Fluoro-5-methylpyridine-3-boronic acid, with the CAS registry number 1072952-45-4, is also known as Boronic acid, B-(2-fluoro-5-methyl-3-pyridinyl)-. It belongs to the product category of Boronic Acid. This chemical's molecular formula is C6H7BFNO2 and molecular weight is 154.93. What's more, its systematic name is (2-Fluoro-5-methyl-3-pyridyl)boronic acid.
Physical properties about 2-Fluoro-5-methylpyridine-3-boronic acid are: (1)ACD/LogP: 0.61; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.479; (4)ACD/BCF (pH 5.5): 1.265; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 37.771; (7)ACD/KOC (pH 7.4): 1.751; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 53.35 Å2; (12)Index of Refraction: 1.504; (13)Molar Refractivity: 35.823 cm3; (14)Molar Volume: 120.893 cm3; (15)Polarizability: 14.201×10-24 cm3; (16)Surface Tension: 44.866 dyne/cm; (17)Density: 1.282 g/cm3; (18)Flash Point: 162.122 °C; (19)Enthalpy of Vaporization: 62.1 kJ/mol; (20)Boiling Point: 344.457 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: B(c1cc(cnc1F)C)(O)O
(2) InChI: InChI=1/C6H7BFNO2/c1-4-2-5(7(10)11)6(8)9-3-4/h2-3,10-11H,1H3
(3) InChIKey: GLYOQOICJWEBJH-UHFFFAOYAW