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1072951-43-9

Basic Information
CAS No.: 1072951-43-9
Name: 2-Bromo-5-fluoropyridine-4-boronic acid
Molecular Structure:
Molecular Structure of 1072951-43-9 (2-Bromo-5-fluoropyridine-4-boronic acid)
Formula: C5H4BBrFNO2
Molecular Weight: 219.806
Synonyms: Boronic acid, B-(2-bromo-5-fluoro-4-pyridinyl)-;
Density: 1.86 g/cm3
Boiling Point: 349.8 °C at 760 mmHg
Flash Point: 165.3 °C
Hazard Symbols: IrritantXi
PSA: 53.35000
LogP: -0.33700
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Specification

The 2-Bromo-5-fluoropyridine-4-boronic acid, with the CAS registry number 1072951-43-9, is also known as Boronic acid, B-(2-bromo-5-fluoro-4-pyridinyl)-. It belongs to the product categories of Organoborons; Pyridine. This chemical's molecular formula is C5H4BBrFNO2 and molecular weight is 219.8. What's more, its systematic name is (2-Bromo-5-fluoro-4-pyridyl)boronic acid.  In addition, this chemical may cause inflammation to the skin or other mucous membranes.

Physical properties about 2-Bromo-5-fluoropyridine-4-boronic acid are: (1)ACD/LogP: 0.88; (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: 1.574; (8)Molar Refractivity: 38.92 cm3; (9)Molar Volume: 117.9 cm3; (10)Polarizability: 15.42×10-24 cm3; (11)Surface Tension: 58.1 dyne/cm; (12)Density: 1.86 g/cm3; (13)Flash Point: 165.3 °C; (14)Enthalpy of Vaporization: 62.72 kJ/mol; (15)Boiling Point: 349.8 °C at 760 mmHg; (16)Vapour Pressure: 1.72E-05 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: OB(O)c1cc(Br)ncc1F
(2) InChI: InChI=1/C5H4BBrFNO2/c7-5-1-3(6(10)11)4(8)2-9-5/h1-2,10-11H
(3) InChIKey: AXQCYFLMAUPOLN-UHFFFAOYAH