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| CAS No.: | 942438-89-3 |
|---|---|
| Name: | 3-Chloro-2-methoxypyridine-5-boronic acid |
| Molecular Structure: | |
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| Formula: | C6H7BClNO3 |
| Molecular Weight: | 187.39 |
| Synonyms: | (5-chloro-6-methoxy-3-pyridyl)boronic acid;boronic acid, B-(5-chloro-6-methoxy-3-pyridinyl)-; |
| Density: | 1.4 g/cm3 |
| Boiling Point: | 337.4 °C at 760 mmHg |
| Flash Point: | 157.9 °C |
| Hazard Symbols: | Xi |
| Risk Codes: | 37/38-41 |
| Safety: | 26-39 |
| PSA: | 62.58000 |
| LogP: | -0.57660 |
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Specification
The 3-Chloro-2-methoxypyridine-5-boronic acid, with the CAS registry number 942438-89-3, has the systematic name of (5-chloro-6-methoxy-3-pyridyl)boronic acid. It belongs to the following product categories: Heterocyclic Compounds; Organoborons; Pyridine. And the molecular formula of the chemical is C6H7BClNO3.
The characteristics of 3-Chloro-2-methoxypyridine-5-boronic acid are as followings: (1)ACD/LogP: 1.49; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.16; (4)#H bond acceptors: 4; (5)#H bond donors: 2; (6)#Freely Rotating Bonds: 4; (7)Polar Surface Area: 62.58 Å2; (8)Index of Refraction: 1.545; (9)Molar Refractivity: 42.27 cm3; (10)Molar Volume: 133.5 cm3; (11)Polarizability: 16.76×10-24cm3; (12)Surface Tension: 54.5 dyne/cm; (13)Density: 1.4 g/cm3; (14)Flash Point: 157.9 °C; (15)Enthalpy of Vaporization: 61.29 kJ/mol; (16)Boiling Point: 337.4 °C at 760 mmHg; (17)Vapour Pressure: 4.11E-05 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Clc1cc(cnc1OC)B(O)O
(2)InChI: InChI=1/C6H7BClNO3/c1-12-6-5(8)2-4(3-9-6)7(10)11/h2-3,10-11H,1H3
(3)InChIKey: LOLPLMDQLOJSDH-UHFFFAOYAK