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1072945-75-5

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Basic Information
CAS No.: 1072945-75-5
Name: 6-Bromo-4-methylpyridine-3-boronic acid
Molecular Structure:
Molecular Structure of 1072945-75-5 (6-Bromo-4-methylpyridine-3-boronic acid)
Formula: C6H7BBrNO2
Molecular Weight: 215.84028
Synonyms: 6-Bromo-4-methylpyridin-3-ylboronic acid;
Density: 1.67 g/cm3
Melting Point: 162-165°C
Boiling Point: 376.5 °C at 760 mmHg
Flash Point: 181.5 °C
PSA: 53.35000
LogP: -0.16770
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Specification

The CAS registry number of 6-Bromo-4-methylpyridine-3-boronic acid is 1072945-75-5. This chemical is also named as 2-Bromo-4-methylpyridine-5-boronicacid. In addition, its molecular formula is C6H7BBrNO2 and molecular weight is 215.84028. Its systematic name is called (6-bromo-4-methyl-3-pyridyl)boronic acid.

Physical properties about 6-Bromo-4-methylpyridine-3-boronic acid 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: 181.5 °C; (13)Enthalpy of Vaporization: 65.84 kJ/mol; (14)Boiling Point: 376.5 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: Cc1cc(Br)ncc1B(O)O
(2)InChI: InChI=1/C6H7BBrNO2/c1-4-2-6(8)9-3-5(4)7(10)11/h2-3,10-11H,1H3
(3)InChIKey: SVONARQIVBDOGB-UHFFFAOYAE