Basic information
- Name:
6-Chloro-2-methoxypyridine-3-boronic acid
- CAS No.:
1072946-50-9
- Molecular Structure:
- Formula:
- C6H7BClNO3
- Molecular Weight:
- 187.38868
- Synonyms:
- (6-Chloro-2-methoxy-3-pyridyl)boronic acid;
- Density:
- 1.403 g/cm3
- Boiling Point:
- 354.461 °C at 760 mmHg
- Flash Point:
- 168.172 °C
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Specification
The CAS registry number of 6-Chloro-2-methoxypyridine-3-boronic acid is 1072946-50-9. Its molecular formula is C6H7BClNO3 and molecular weight is 187.38868. Its systematic name is called (6-Chloro-2-methoxy-3-pyridyl)boronic acid.
Physical properties about 6-Chloro-2-methoxypyridine-3-boronic acid are: (1)ACD/LogP: 1.44; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.282; (4)ACD/BCF (pH 5.5): 5.082; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 100.438; (7)ACD/KOC (pH 7.4): 4.024; (8)#H bond acceptors: 4; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 4; (11)Index of Refraction: 1.546; (12)Molar Refractivity: 42.279 cm3; (13)Molar Volume: 133.589 cm3; (14)Surface Tension: 54.525 dyne/cm; (15)Density: 1.403 g/cm3; (16)Flash Point: 168.172 °C; (17)Enthalpy of Vaporization: 63.261 kJ/mol; (18)Boiling Point: 354.461 °C at 760 mmHg.
You can still convert the following datas into molecular structure:
(1)SMILES: B(c1ccc(nc1OC)Cl)(O)O
(2)InChI: InChI=1/C6H7BClNO3/c1-12-6-4(7(10)11)2-3-5(8)9-6/h2-3,10-11H,1H3
(3)InChIKey: QMTFZVCHSRMZJW-UHFFFAOYAH
