6-(Benzyloxycarbonyl)pyridine-3-boronic acid supplier

Name
6-(Benzyloxycarbonyl)pyridine-3-boronic acid
EINECS
CAS No. 1000269-51-1
Density 1.312 g/cm³
Solubility
Melting Point
Formula C₁₃H₁₂BNO₄
Boiling Point 495.051 °C at 760 mmHg
Molecular Weight 257.0497
Flash Point 253.198 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms
PSA
LogP

6-(Benzyloxycarbonyl)pyridine-3-boronic acid Specification

The CAS registry number of 6-(Benzyloxycarbonyl)pyridine-3-boronic acid is 1000269-51-1. The molecular formula of it is C₁₃H₁₂BNO₄ and molecular weight is 257.0497. Its systematic name is called (6-benzyloxycarbonyl-3-pyridyl)boronic acid.

Physical properties about this chemical are: (1)ACD/LogP: 1.37; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.051; (4)ACD/BCF (pH 5.5): 3.11; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 63.662; (7)ACD/KOC (pH 7.4): 1.535; (8)#H bond acceptors: 5; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 7; (11)Index of Refraction: 1.599; (12)Molar Refractivity: 66.913 cm³; (13)Molar Volume: 195.897 cm³; (14)Surface Tension: 59.895 dyne/cm; (15)Density: 1.312 g/cm³; (16)Flash Point: 253.198 °C; (17)Enthalpy of Vaporization: 80.305 kJ/mol; (18)Boiling Point: 495.051 °C at 760 mmHg; (19)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: B(c1ccc(nc1)C(=O)OCc2ccccc2)(O)O
(2)InChI: InChI=1/C13H12BNO4/c16-13(19-9-10-4-2-1-3-5-10)12-7-6-11(8-15-12)14(17)18/h1-8,17-18H,9H2
(3)InChIKey: ZJFHFVUWFKEFTI-UHFFFAOYAS

Product Name

6-(Benzyloxycarbonyl)pyridine-3-boronic acid

6-(Benzyloxycarbonyl)pyridine-3-boronic acid Specification

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