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Boronic acid,B-(4'-chloro[1,1'-biphenyl]-4-yl)- (364044-44-0)

Identification
Name:Boronic acid,B-(4'-chloro[1,1'-biphenyl]-4-yl)-
Synonyms:Boronicacid, (4'-chloro[1,1'-biphenyl]-4-yl)- (9CI);[4-(4-Chlorophenyl)phenyl]boronicacid;
CAS:364044-44-0
Molecular Formula: C12H10BClO2
Molecular Weight: 232.47
InChI: InChI=1/C12H10BClO2/c14-12-7-3-10(4-8-12)9-1-5-11(6-2-9)13(15)16/h1-8,15-16H
Molecular Structure: (C12H10BClO2) Boronicacid, (4'-chloro[1,1'-biphenyl]-4-yl)- (9CI);[4-(4-Chlorophenyl)phenyl]boronicacid;
Properties
Density:1.304 g/cm3
Refractive index:1.623
Specification:

The 4'-Chloro-4-biphenylboronic acid with the CAS number 364044-44-0 is also called Boronic acid,B-(4'-chloro[1,1'-biphenyl]-4-yl)-. The systematic name is (4'-chlorobiphenyl-4-yl)boronic acid. Its molecular formula is C12H10BClO2. This chemical should be stored in dry and cool environment.

The properties of the 4'-Chloro-4-biphenylboronic acid are: (1)ACD/LogP: 3.83; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4; (4)ACD/LogD (pH 7.4): 4; (5)ACD/BCF (pH 5.5): 558; (6)ACD/BCF (pH 7.4): 519; (7)ACD/KOC (pH 5.5): 3216; (8)ACD/KOC (pH 7.4): 2992; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 40.46Å2; (13)Index of Refraction: 1.623; (14)Molar Refractivity: 62.822 cm3; (15)Molar Volume: 178.217 cm3; (16)Polarizability: 24.905×10-24cm3; (17)Surface Tension: 53.017 dyne/cm; (18)Enthalpy of Vaporization: 69.947 kJ/mol; (19)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1ccc(cc1)c2ccc(cc2)B(O)O
(2)InChI: InChI=1/C12H10BClO2/c14-12-7-3-10(4-8-12)9-1-5-11(6-2-9)13(15)16/h1-8,15-16H
(3)InChIKey: FVKZNRXWZCBUPY-UHFFFAOYAO

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