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[4-(2-Phenyl-1H-benzimidazol-1-yl)phenyl]boronic acid

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Name

[4-(2-Phenyl-1H-benzimidazol-1-yl)phenyl]boronic acid

EINECS N/A
CAS No. 867044-33-5 Density 1.21
PSA 58.28000 LogP 2.37230
Solubility N/A Melting Point N/A
Formula C19H15 B N2 O2 Boiling Point 572.6 ºC at 760 mmHg
Molecular Weight 314.151 Flash Point 300.1 ºC
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 867044-33-5 (Boronic acid,B-[4-(2-phenyl-1H-benzimidazol-1-yl)phenyl]-) Hazard Symbols N/A
Synonyms

Boronicacid, [4-(2-phenyl-1H-benzimidazol-1-yl)phenyl]- (9CI);

Article Data 6

[4-(2-Phenyl-1H-benzimidazol-1-yl)phenyl]boronic acid Specification

The [4-(2-Phenyl-1H-benzimidazol-1-yl)phenyl]boronic acid, with the cas registry number 867044-33-5, has other names as boronic acid, B-[4-(2-phenyl-1H-benzimidazol-1-yl)phenyl]-.
 
The physical properties of this chemical are as follows: (1)ACD/LogP: 5.45; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.38; (4)ACD/LogD (pH 7.4): 5.39; (5)ACD/BCF (pH 5.5): 7017.06; (6)ACD/BCF (pH 7.4): 7159.74; (7)ACD/KOC (pH 5.5): 18924.1; (8)ACD/KOC (pH 7.4): 19308.9; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 58.28 ; (13)Index of Refraction: 1.64; (14)Molar Refractivity: 93.46 cm3; (15)Molar Volume: 259.3 cm3 ; (16)Polarizability: 37.05 ×10-24 cm3; (17)Surface Tension: 49 dyne/cm; (18)Density: 1.21 g/cm3; (19)Flash Point: 300.1 °C; (20)Enthalpy of Vaporization: 90.29 kJ/mol; (21)Boiling Point: 572.6 °C at 760 mmHg; (22)Vapour Pressure: 5.96E-14 mmHg at 25°C.

In addition, you could convert the following datas into the molecular structure:
(1)SMILES:OB(O)c1ccc(cc1)n2c4ccccc4nc2c3ccccc3CopyCopied
(2)InChI:InChI=1/C19H15BN2O2/c23-20(24)15-10-12-16(13-11-15)22-18-9-5-4-8-17(18)21-19(22)14-6-2-1-3-7-14/h1-13,23-24H CopyCopied
(3)InChIKey:RCOAUYBPVRIYBG-UHFFFAOYAP

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