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CAS No.: | 1072946-19-0 |
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Name: | 2-Chloro-4-methoxypyridine-3-boronic acid |
Molecular Structure: | |
Formula: | C6H7BClNO3 |
Molecular Weight: | 187.39 |
Synonyms: | 2-Chloro-4-methoxypyridine-3-boronic acid; |
Density: | 1.403 g/cm3 |
Boiling Point: | 394.397 °C at 760 mmHg |
Flash Point: | 192.324 °C |
PSA: | 62.58000 |
LogP: | -0.57660 |
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The 2-Chloro-4-methoxypyridine-3-boronic acid is the organic compound with the formula C6H7BClNO3. With the CAS registry number 1072946-19-0, its systematic name is (2-chloro-4-methoxy-3-pyridyl)boronic acid.
Physical properties of 2-Chloro-4-methoxypyridine-3-boronic acid: (1)ACD/LogP: 0.96; (2)ACD/LogD (pH 5.5): 0.837; (3)ACD/BCF (pH 5.5): 2.384; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 59.889; (6)ACD/KOC (pH 7.4): 2.995; (7)#H bond acceptors: 4; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 4; (10)Index of Refraction: 1.546; (11)Molar Refractivity: 42.279 cm3; (12)Molar Volume: 133.589 cm3; (13)Surface Tension: 54.525 dyne/cm; (14)Density: 1.403 g/cm3; (15)Flash Point: 192.324 °C; (16)Enthalpy of Vaporization: 67.963 kJ/mol; (17)Boiling Point: 394.397 °C at 760 mmHg; (18)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: B(c1c(ccnc1Cl)OC)(O)O
(2)InChI: InChI=1/C6H7BClNO3/c1-12-4-2-3-9-6(8)5(4)7(10)11/h2-3,10-11H,1H3
(3)InChIKey: VTXXPXWIOKBFMA-UHFFFAOYAN