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1133058-06-6

Basic Information
CAS No.: 1133058-06-6
Name: B-(6,9-Diphenyl-9H-carbazol-3-yl)boronic acid
Article Data: 2
Molecular Structure:
Molecular Structure of 1133058-06-6 (B-(6,9-Diphenyl-9H-carbazol-3-yl)boronic acid)
Formula: C24H18BNO2
Molecular Weight: 363.223
Synonyms: (6, 9-Diphenylcarbazol-3-yl)boronic acid;
Density: 1.185 g/cm3
Boiling Point: 567.797 °C at 760 mmHg
Flash Point: 297.193 °C
PSA: 45.39000
LogP: 4.13050
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Specification

The 6, 9-Diphenyl-9H-carbazol-3-yl-3-boronic acid has CAS registry number 1133058-06-6. This chemical's molecular formula is C24H18BNO2 and molecular weight is 363.2162. What's more, its systematic name is (6, 9-Diphenylcarbazol-3-yl)boronic acid.

Physical properties about 6, 9-Diphenyl-9H-carbazol-3-yl-3-boronic acid are: (1)ACD/LogP: 6.43; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.43; (4)ACD/LogD (pH 7.4): 6.414; (5)ACD/BCF (pH 5.5): 45379.52; (6)ACD/BCF (pH 7.4): 43689.977; (7)ACD/KOC (pH 5.5): 74972.547; (8)ACD/KOC (pH 7.4): 72181.211; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 45.39 Å2; (13)Index of Refraction: 1.643; (14)Molar Refractivity: 110.904 cm3; (15)Molar Volume: 306.497 cm3; (16)Surface Tension: 47.558 dyne/cm; (17)Density: 1.185 g/cm3; (18)Flash Point: 297.193 °C; (19)Enthalpy of Vaporization: 89.662 kJ/mol; (20)Boiling Point: 567.797 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: B(c1ccc2c(c1)c3cc(ccc3n2c4ccccc4)c5ccccc5)(O)O
(2) InChI: InChI=1/C24H18BNO2/c27-25(28)19-12-14-24-22(16-19)21-15-18(17-7-3-1-4-8-17)11-13-23(21)26(24)20-9-5-2-6-10-20/h1-16,27-28H
(3) InChIKey: AIDQRXUWQFRMAQ-UHFFFAOYAC