Name: 2-BROMOPYRIDIN-4-YLBORONIC ACID
SKU: 458532-94-0

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Basic Information

Molecular Structure:
CAS No.:	458532-94-0
Name:	2-BROMOPYRIDIN-4-YLBORONIC ACID

Formula:	C₅H₅BBrNO₂
Molecular Weight:	201.815
Synonyms:	2-Bromopyridin-4-Ylboronic Acid;(2-bromopyridin-4-yl)boronic acid;
Density:	1.785 g/cm³
Boiling Point:	375.839 °C at 760 mmHg
Flash Point:	181.101 °C
PSA:	53.35000
LogP:	-0.47610

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Specification

This chemical is called Boronic acid, (2-bromo-4-pyridinyl)-, and it can also be named as (2-Bromopyridin-4-yl)boronic acid. With the molecular formula of C₅H₅BBrNO₂, its molecular weight is 201.81. The CAS registry number of this chemical is 458532-94-0. Additionally, this chemical is white powder. It should be sealed in the cool and dry place.

Other characteristics of the Boronic acid, (2-bromo-4-pyridinyl)- can be summarised as followings: (1)ACD/LogP: 0.65; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1 ; (4)ACD/BCF (pH 5.5): 2; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 63; (7)ACD/KOC (pH 7.4): 5; (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: 1.602; (13)Molar Refractivity: 38.808 cm³; (14)Molar Volume: 113.077 cm³; (15)Polarizability: 15.385×10^-24cm³; (16)Surface Tension: 62.799 dyne/cm; (17)Density: 1.785 g/cm³; (18)Flash Point: 181.101 °C; (19)Enthalpy of Vaporization: 65.764 kJ/mol; (20)Boiling Point: 375.839 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: OB(O)c1ccnc(Br)c1
2.InChI: InChI=1/C5H5BBrNO2/c7-5-3-4(6(9)10)1-2-8-5/h1-3,9-10H
3.InChIKey: DFIKFQMGZNTFLI-UHFFFAOYAP