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| CAS No.: | 315220-11-2 |
|---|---|
| Name: | 4-(4-butylcyclohexyl)phenylboronic acid |
| Molecular Structure: | |
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| Formula: | C16H25BO2 |
| Molecular Weight: | 260.18 |
| Synonyms: | 4-(4-butylcyclohexyl)phenylboronic acid;4-(trans-4-butylcyclohexyl)phenylboronic acid;Boronic acid, B-[4-(4-butylcyclohexyl)phenyl]- |
| Density: | 1.028 g/cm3 |
| Boiling Point: | 408.051 °C at 760 mmHg |
| Flash Point: | 200.582 °C |
| PSA: | 40.46000 |
| LogP: | 2.83040 |
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Specification
The CAS registry number of [4-(4-Butylcyclohexyl)phenyl]boronic acid is 315220-11-2. This chemical's molecular formula is C16H25BO2 and molecular weight is 260.18. What's more, its IUPAC name is the same with its product name.
Physical properties about [4-(4-Butylcyclohexyl)phenyl]boronic acid are: (1)ACD/LogP: 5.816; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.82; (4)ACD/LogD (pH 7.4): 5.80; (5)ACD/BCF (pH 5.5): 15478.70; (6)ACD/BCF (pH 7.4): 14748.78; (7)ACD/KOC (pH 5.5): 34715.36; (8)ACD/KOC (pH 7.4): 33078.30; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 40.46 Å2; (13)Index of Refraction: 1.525; (14)Molar Refractivity: 77.504 cm3; (15)Molar Volume: 253.049 cm3; (16)Polarizability: 30.725×10-24cm3; (17)Surface Tension: 40.177 dyne/cm; (18)Density: 1.028 g/cm3; (19)Flash Point: 200.582 °C; (20)Enthalpy of Vaporization: 69.596 kJ/mol; (21)Boiling Point: 408.051 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: B(O)(O)c1ccc(cc1)[C@H]2CC[C@@H](CC2)CCCC
(2) InChI: InChI=1S/C16H25BO2/c1-2-3-4-13-5-7-14(8-6-13)15-9-11-16(12-10-15)17(18)19/h9-14,18-19H,2-8H2,1H3/t13-,14-
(3) InChIKey: XAPVHVFVQKPDAJ-HDJSIYSDSA-N