CAS No.452972-10-0,4-CHLORO3-PYRIDYLBORONIC ACID Suppliers

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Basic Information

Molecular Structure:
CAS No.:	452972-10-0
Name:	4-CHLORO3-PYRIDYLBORONIC ACID

Formula:	C₅H₅BClNO₂
Molecular Weight:	157.36
Synonyms:	Boronicacid, (4-chloro-3-pyridinyl)- (9CI);(4-Chloro-3-pyridyl)boronic acid;4-Chloropyridin-3-ylboronic acid;
EINECS:	125-856-9
Density:	1.41 g/cm³
Boiling Point:	333.983 °C at 760 mmHg
Flash Point:	155.788 °C
PSA:	53.35000
LogP:	-0.58520

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Specification

This chemical is called 4-Chloropyridine-3-boronic acid, and it can also be named as boronic acid, B-(4-chloro-3-pyridinyl)-. With the molecular formula of C₅H₅BClNO₂, its molecular weight is 157.36. The CAS registry number of this chemical is 452972-10-0, and its product category is Pyridines.

Other characteristics of the 4-Chloropyridine-3-boronic acid can be summarised as followings: (1)ACD/LogP: 0.49; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0 ; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 30; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 53.35 Å²; (12)Index of Refraction: 1.559; (13)Molar Refractivity: 35.914 cm³; (14)Molar Volume: 111.184 cm³; (15)Polarizability: 14.238×10^-24cm³; (16)Surface Tension: 56.179 dyne/cm; (17)Density: 1.415 g/cm³; (18)Flash Point: 155.788 °C; (19)Enthalpy of Vaporization: 60.893 kJ/mol; (20)Boiling Point: 333.983 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: Clc1ccncc1B(O)O
2.InChI: InChI=1/C5H5BClNO2/c7-5-1-2-8-3-4(5)6(9)10/h1-3,9-10H
3.InChIKey: IMEPMEDDZNANPY-UHFFFAOYAG