138642-62-3 price
1.Introduction of 138642-62-3
2-Cyanophenylboronic acid has CAS registry number as 138642-62-3. Its synonyms are
2-cyanophenylb
1.Introduction of 138642-62-3
2-Cyanophenylboronic acid has CAS registry number as 138642-62-3. Its synonyms are
2-cyanophenylboronic acid;akos brn-0034;rarechem ah pb 0208;2-boronobenzonitrile;boronic acid, (2-cyanophenyl)- (9ci);o-cyanophenylboronicacid. It has wide applications of nitrile, blocks, boronicacids, carboxes, substituted boronic acids, boronic acids, boronic acid, boronic acid series, aryl, boronic acids, boronic acids and derivatives.
2.Properties of 138642-62-3
ACD/LogP: 0.644
# of Rule of 5 Violations: 0
ACD/LogD (pH 5.5): 0.64
ACD/LogD (pH 7.4): 0.54
ACD/BCF (pH 5.5): 1.81
ACD/BCF (pH 7.4): 1.44
ACD/KOC (pH 5.5): 53.18
ACD/KOC (pH 7.4): 42.18
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 3
Polar Surface Area: 64.25?2
Index of Refraction: 1.56
Molar Refractivity: 37.856 cm3
Molar Volume: 117.099 cm3
Polarizability: 15.007 10-24cm3
Surface Tension: 55.3240013122559 dyne/cm
Density: 1.255 g/cm3
Flash Point: 181.427 °C
Enthalpy of Vaporization: 65.828 kJ/mol
Boiling Point: 376.378 °C at 760 mmHg
Vapour Pressure: 0 mmHg at 25°C
3.Structure Descriptors of 138642-62-3
(1)InChI: InChI=1S/C7H6BNO2/c9-5-6-3-1-2-4-7(6)8(10)11/h1-4,10-11H
(2)InChIKey: NPLZNDDFVCGRAG-UHFFFAOYSA-N
(31)Canonical SMILES : B(C1=CC=CC=C1C#N)(O)O
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