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CAS No.: | 288105-04-4 |
---|---|
Name: | 2-Diphenylvinyl)phenylboronic acid |
Article Data: | 7 |
Molecular Structure: | |
Formula: | C20H17BO2 |
Molecular Weight: | 300.165 |
Synonyms: | Boronicacid, [4-(2,2-diphenylethenyl)phenyl]- (9CI); |
Density: | 1.18 g/cm3 |
Boiling Point: | 465.1 °C at 760 mmHg |
Flash Point: | 235.1 °C |
PSA: | 40.46000 |
LogP: | 2.95530 |
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The Boronic acid,B-[4-(2,2-diphenylethenyl)phenyl]-, with the CAS registry number 288105-04-4, is also known as 4-(2,2-Diphenylvinyl)phenylboronic acid. This chemical's molecular formula is C20H17BO2 and molecular weight is 300.1588. What's more, both its IUPAC name and systematic name are the same which is called [4-(2,2-Diphenylethenyl)phenyl]boronic acid.
Physical properties about Boronic acid,B-[4-(2,2-diphenylethenyl)phenyl]- are: (1)ACD/LogP: 6.37; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.37; (4)ACD/LogD (pH 7.4): 6.33; (5)ACD/BCF (pH 5.5): 40554.04; (6)ACD/BCF (pH 7.4): 37757.77; (7)ACD/KOC (pH 5.5): 69166.72; (8)ACD/KOC (pH 7.4): 64397.55; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 18.46 Å2; (13)Index of Refraction: 1.646; (14)Molar Refractivity: 91.65 cm3; (15)Molar Volume: 252.4 cm3; (16)Polarizability: 36.33×10-24 cm3; (17)Surface Tension: 53.1 dyne/cm; (18)Density: 1.18 g/cm3; (19)Flash Point: 235.1 °C; (20)Enthalpy of Vaporization: 76.55 kJ/mol; (21)Boiling Point: 465.1 °C at 760 mmHg; (22)Vapour Pressure: 1.9E-09 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: OB(O)c3ccc(\C=C(/c1ccccc1)c2ccccc2)cc3
(2) InChI: InChI=1/C20H17BO2/c22-21(23)19-13-11-16(12-14-19)15-20(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-15,22-23H
(3) InChIKey: FZLBSPJVPHSNBE-UHFFFAOYAC