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CAS No.: | 1070774-29-6 |
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Name: | 3-Fluoropyridine-2-boronic acid |
Molecular Structure: | |
Formula: | C5H5BFNO2 |
Molecular Weight: | 140.91 |
Synonyms: | Boronic acid, B-(3-fluoro-2-pyridinyl)-; |
Density: | 1.34 g/cm3 |
Boiling Point: | 289 °C at 760 mmHg |
Flash Point: | 128.6 °C |
PSA: | 53.35000 |
LogP: | -1.09950 |
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The 3-Fluoropyridine-2-boronic acid, with the CAS registry number 1070774-29-6, is also known as Boronic acid, B-(3-fluoro-2-pyridinyl)-. This chemical's molecular formula is C5H5BFNO2 and molecular weight is 140.9081032. What's more, its systematic name is (3-Fluoro-2-pyridyl)boronic acid.
Physical properties about 3-Fluoropyridine-2-boronic acid are: (1)ACD/LogP: 0.14; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 53.35 Å2; (7)Index of Refraction: 1.507; (8)Molar Refractivity: 31.19 cm3; (9)Molar Volume: 104.8 cm3; (10)Polarizability: 12.36×10-24 cm3; (11)Surface Tension: 47 dyne/cm; (12)Density: 1.34 g/cm3; (13)Flash Point: 128.6 °C; (14)Enthalpy of Vaporization: 55.8 kJ/mol; (15)Boiling Point: 289 °C at 760 mmHg; (16)Vapour Pressure: 0.00104 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: B(c1c(cccn1)F)(O)O
(2) InChI: InChI=1/C5H5BFNO2/c7-4-2-1-3-8-5(4)6(9)10/h1-3,9-10H
(3) InChIKey: LTAUVGYDXJTVQB-UHFFFAOYAA