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Boronic acid,B-(3-cyano-4-pyridinyl)- (874290-89-8)

Identification
Name:Boronic acid,B-(3-cyano-4-pyridinyl)-
Synonyms:Boronicacid, (3-cyano-4-pyridinyl)- (9CI);
CAS:874290-89-8
Molecular Formula: C6H5BN2O2
Molecular Weight: 147.93
InChI: InChI=1/C6H5BN2O2/c8-3-5-4-9-2-1-6(5)7(10)11/h1-2,4,10-11H
Molecular Structure: (C6H5BN2O2) Boronicacid, (3-cyano-4-pyridinyl)- (9CI);
Properties
Density:1.34 g/cm3
Refractive index:1.561
Specification:

The 3-Cyanopyridine-4-boronic acid, with CAS registry number 874290-89-8, has the systematic name of (3-cyano-4-pyridyl)boronic acid. Besides this, it is also called boronic acid, B-(3-cyano-4-pyridinyl)-. And the chemical formula of this chemical is C6H5BN2O2. Its molecular weight is 147.93.

Physical properties of 3-Cyanopyridine-4-boronic acid: (1)# of Rule of 5 Violations: 0; (2)#H bond acceptors: 4; (3)#H bond donors: 2; (4)#Freely Rotating Bonds: 3; (5)Polar Surface Area: 77.14 Å2; (6)Index of Refraction: 1.561; (7)Molar Refractivity: 35.65 cm3; (8)Molar Volume: 109.9 cm3; (9)Polarizability: 14.13×10-24cm3; (10)Surface Tension: 67.2 dyne/cm; (11)Enthalpy of Vaporization: 69.58 kJ/mol; (12)Vapour Pressure: 2.19E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: N#Cc1cnccc1B(O)O
(2)InChI: InChI=1/C6H5BN2O2/c8-3-5-4-9-2-1-6(5)7(10)11/h1-2,4,10-11H
(3)InChIKey: BIFLCXDWWOPWRD-UHFFFAOYAV
(4)Std. InChI: InChI=1S/C6H5BN2O2/c8-3-5-4-9-2-1-6(5)7(10)11/h1-2,4,10-11H
(5)Std. InChIKey: BIFLCXDWWOPWRD-UHFFFAOYSA-N

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