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371193-08-7

Basic Information
CAS No.: 371193-08-7
Name: 9,9-Dihexyl-9H-fluoren-2-boronic acid
Article Data: 10
Molecular Structure:
Molecular Structure of 371193-08-7 (9,9-Dihexyl-9H-fluoren-2-boronic acid)
Formula: C25H35BO2
Molecular Weight: 378.363
Synonyms: Boronic acid, (9,9-dihexyl-9H-fluoren-2-yl)- (9CI);9,9-Di-n-hexylfluoren-2-ylboronic acid;(9,9-Dihexyl-9H-fluoren-2-yl)boronic acid;
Density: 1.05 g/cm3
Melting Point: 98°C(lit.)
Boiling Point: 542.2 °C at 760 mmHg
Flash Point: 281.7 °C
PSA: 40.46000
LogP: 5.57370
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Specification

The Boronic acid, B-(9,9-dihexyl-9H-fluoren-2-yl)-, with the CAS registry number 371193-08-7, is also known as 9,9-Di-n-hexylfluoren-2-ylboronic acid. This chemical's molecular formula is C25H35BO2 and molecular weight is 378.36. What's more, its systematic name is (9,9-dihexyl-9H-fluoren-2-yl)boronic acid.

Physical properties of Boronic acid, B-(9,9-dihexyl-9H-fluoren-2-yl)- are: (1)ACD/LogP: 9.88; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 9.88; (4)ACD/LogD (pH 7.4): 9.86; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 5648642; (8)ACD/KOC (pH 7.4): 5339656.5; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 13; (12)Polar Surface Area: 40.46 Å2; (13)Index of Refraction: 1.56; (14)Molar Refractivity: 116.14 cm3; (15)Molar Volume: 358.9 cm3; (16)Polarizability: 46.04×10-24cm3; (17)Surface Tension: 44.6 dyne/cm; (18)Density: 1.05 g/cm3; (19)Flash Point: 281.7 °C; (20)Enthalpy of Vaporization: 86.32 kJ/mol; (21)Boiling Point: 542.2 °C at 760 mmHg; (22)Vapour Pressure: 1.38E-12 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: OB(O)c2ccc3c1ccccc1C(CCCCCC)(CCCCCC)c3c2
(2)Std. InChI: InChI=1S/C25H35BO2/c1-3-5-7-11-17-25(18-12-8-6-4-2)23-14-10-9-13-21(23)22-16-15-20(26(27)28)19-24(22)25/h9-10,13-16,19,27-28H,3-8,11-12,17-18H2,1-2H3
(3)Std. InChIKey: WWASBXIXSWJVJW-UHFFFAOYSA-N