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CAS No.: | 1072944-19-4 |
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Name: | 5-Bromo-2-chloropyridine-3-boronic acid |
Molecular Structure: | |
Formula: | C5H4BBrClNO2 |
Molecular Weight: | 236.25876 |
Synonyms: | (5-Bromo-2-chloropyridin-3-yl)boronic acid;boronic acid,B-(5-bromo-2-chloro-3-pyridinyl)-; |
Density: | 1.9 g/cm3 |
Boiling Point: | 382.1 °C at 760 mmHg |
Flash Point: | 184.9 °C |
PSA: | 53.35000 |
LogP: | 0.17730 |
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The 5-Bromo-2-chloropyridine-3-boronic acid with CAS registry number of 1072944-19-4 is also called (5-Bromo-2-chloropyridin-3-yl)boronic acid. In addition, the formula is C5H4BBrClNO2 and the molecular weight is 236.25876.
Physical properties about this chemical are: (1)ACD/LogP: 1.73; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.48; (4)#H bond acceptors: 3; (5)#H bond donors: 2; (6)#Freely Rotating Bonds: 3; (7)Polar Surface Area: 53.35 Å2; (8)Index of Refraction: 1.619; (9)Molar Refractivity: 43.63 cm3; (10)Molar Volume: 124.2 cm3; (11)Polarizability: 17.29 ×10-24cm3; (12)Surface Tension: 66.9 dyne/cm; (13)Density: 1.9 g/cm3; (14)Flash Point: 184.9 °C; (15)Enthalpy of Vaporization: 66.51 kJ/mol; (16)Boiling Point: 382.1 °C at 760 mmHg; (17)Vapour Pressure: 1.6E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: OB(O)c1cc(Br)cnc1Cl
(2)InChI: InChI=1/C5H4BBrClNO2/c7-3-1-4(6(10)11)5(8)9-2-3/h1-2,10-11H
(3)InChIKey: VDOTXMKSABQXLA-UHFFFAOYAQ