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1072946-20-3

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Basic Information
CAS No.: 1072946-20-3
Name: 2-Chloro-4-methoxypyridine-5-boronic acid
Molecular Structure:
Molecular Structure of 1072946-20-3 (2-Chloro-4-methoxypyridine-5-boronic acid)
Formula: C6H7BClNO3
Molecular Weight: 187.3887
Synonyms: 2-Chloro-4-methoxypyridine-5-boronic acid;
Density: 1.403 g/cm3
Boiling Point: 383.204 °C at 760 mmHg
Flash Point: 185.555 °C
PSA: 62.58000
LogP: -0.57660
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Specification

The (6-Chloro-4-methoxy-3-pyridyl)boronic acid, with the CAS registry number 1072946-20-3, is also known as 2-Chloro-4-methoxypyridine-5-boronic acid. This chemical's molecular formula is C6H7BClNO3 and molecular weight is 187.3887. What's more, its systematic name is (6-Chloro-4-methoxy-3-pyridyl)boronic acid.

Physical properties about (6-Chloro-4-methoxy-3-pyridyl)boronic acid are: (1)ACD/LogP: 0.96; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.799; (4)ACD/BCF (pH 5.5): 2.184; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 54.868; (7)ACD/KOC (pH 7.4): 2.198; (8)#H bond acceptors: 4; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 62.58 Å2; (12)Index of Refraction: 1.546; (13)Molar Refractivity: 42.279 cm3; (14)Molar Volume: 133.589 cm3; (15)Polarizability: 16.761×10-24 cm3; (16)Surface Tension: 54.525 dyne/cm; (17)Density: 1.403 g/cm3; (18)Flash Point: 185.555 °C; (19)Enthalpy of Vaporization: 66.634 kJ/mol; (20)Boiling Point: 383.204 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: B(c1cnc(cc1OC)Cl)(O)O
(2) InChI: InChI=1/C6H7BClNO3/c1-12-5-2-6(8)9-3-4(5)7(10)11/h2-3,10-11H,1H3
(3) InChIKey: XZYKMRJYFUEGON-UHFFFAOYAB