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CAS No.: | 1072944-23-0 |
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Name: | 6-Bromo-2,4-dimethylpyridine-3-boronic acid |
Molecular Structure: | |
Formula: | C7H9BBrNO2 |
Molecular Weight: | 229.86686 |
Synonyms: | 6-Bromo-2,4-dimethylpyridin-3-ylboronic acid; |
Density: | 1.58 g/cm3 |
Melting Point: | 145°C |
Boiling Point: | 373.9 °C at 760 mmHg |
Flash Point: | 179.9 °C |
PSA: | 53.35000 |
LogP: | 0.14070 |
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The CAS registry number of 6-Bromo-2,4-dimethylpyridine-3-boronic acid is 1072944-23-0. This chemical is also named as Boronic acid, B-(6-bromo-2,4-dimethyl-3-pyridinyl)-. In addition, its molecular formula is C7H9BBrNO2 and molecular weight is 229.86686. Its systematic name is called (6-bromo-2,4-dimethyl-3-pyridyl)boronic acid.
Physical properties about this chemical are: (1)ACD/LogP: 1.82; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.69; (4)ACD/LogD (pH 7.4): 0.36; (5)#H bond acceptors: 3; (6)#H bond donors: 2; (7)#Freely Rotating Bonds: 3; (8)Index of Refraction: 1.576; (9)Molar Refractivity: 48.05 cm3; (10)Molar Volume: 145.1 cm3; (11)Surface Tension: 54.7 dyne/cm; (12)Density: 1.58 g/cm3; (13)Flash Point: 179.9 °C; (14)Enthalpy of Vaporization: 65.53 kJ/mol; (15)Boiling Point: 373.9 °C at 760 mmHg.
You can still convert the following datas into molecular structure:
(1)SMILES: Cc1cc(Br)nc(C)c1B(O)O
(2)InChI: InChI=1/C7H9BBrNO2/c1-4-3-6(9)10-5(2)7(4)8(11)12/h3,11-12H,1-2H3
(3)InChIKey: GXXITYQLWOMIEM-UHFFFAOYAL