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6-Bromo-2-methylpyridine-3-boronic acid

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Name

6-Bromo-2-methylpyridine-3-boronic acid

EINECS N/A
CAS No. 1072944-22-9 Density 1.67 g/cm3
PSA 53.35000 LogP -0.16770
Solubility N/A Melting Point 170°C
Formula C6H7BBrNO2 Boiling Point 354.2 °C at 760 mmHg
Molecular Weight 215.84028 Flash Point 168 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 1072944-22-9 (6-Bromo-2-methylpyridine-3-boronic acid) Hazard Symbols N/A
Synonyms

6-Bromo-2-methylpyridin-3-ylboronic acid;

 

6-Bromo-2-methylpyridine-3-boronic acid Specification

The CAS registry number of 6-Bromo-2-methylpyridine-3-boronic acid is 1072944-22-9. This chemical is also named as B-(6-Bromo-2-methyl-3-pyridinyl)boronic acid. In addition, its molecular formula is C6H7BBrNO2 and molecular weight is 215.84028. Its systematic name is called (6-bromo-2-methyl-3-pyridyl)boronic acid.

Physical properties about this chemical are: (1)ACD/LogP: 1.36; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.21; (4)#H bond acceptors: 3; (5)#H bond donors: 2; (6)#Freely Rotating Bonds: 3; (7)Index of Refraction: 1.587; (8)Molar Refractivity: 43.43 cm3; (9)Molar Volume: 129.1 cm3; (10)Surface Tension: 58.1 dyne/cm; (11)Density: 1.67 g/cm3; (12)Flash Point: 168 °C; (13)Enthalpy of Vaporization: 63.23 kJ/mol; (14)Boiling Point: 354.2 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: OB(O)c1ccc(Br)nc1C
(2)InChI: InChI=1/C6H7BBrNO2/c1-4-5(7(10)11)2-3-6(8)9-4/h2-3,10-11H,1H3
(3)InChIKey: NXLYPZNXELJJDT-UHFFFAOYAJ

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