Name: 4-(TRANS-4-PENTYLCYCLOHEXYL) PHENYL BORONIC ACID
SKU: 143651-26-7

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Basic Information

Molecular Structure:
CAS No.:	143651-26-7
Name:	4-(TRANS-4-PENTYLCYCLOHEXYL) PHENYL BORONIC ACID
Article Data:	2

Formula:	C₁₇H₂₇BO₂
Molecular Weight:	274.211
Synonyms:	4-(Trans-4-pentylcyclohexyl)phenyl]-boronic acid;
Density:	1.018 g/cm³
Boiling Point:	421.073 °C at 760 mmHg
Flash Point:	208.458 °C
PSA:	40.46000
LogP:	3.22050

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Specification

The [4-(trans-4-Pentylcyclohexyl)phenyl]boronic acid with its cas register number is 143651-26-7. The Systematic name about this chemical is [4-(trans-4-pentylcyclohexyl)phenyl]boronic acid.

Physical properties about [4-(trans-4-Pentylcyclohexyl)phenyl]boronic acid are: (1)ACD/LogP: 6.73; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.73; (4)ACD/LogD (pH 7.4): 6.71; (5)ACD/BCF (pH 5.5): 76172.59; (6)ACD/BCF (pH 7.4): 72580.55; (7)ACD/KOC (pH 5.5): 108616.03; (8)ACD/KOC (pH 7.4): 103494.07; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 40.46Å²; (13)Index of Refraction: 1.521; (14)Molar Refractivity: 82.13 cm³; (15)Molar Volume: 269.3 cm³; (16)Polarizability: 32.56x10^-24cm³; (17)Surface Tension: 39.9 dyne/cm; (18)Enthalpy of Vaporization: 71.17 kJ/mol; (19)Vapour Pressure: 7.65E-08 mmHg at 25°C

You can still convert the following datas into molecular structure:
(1)SMILES: OB(O)c1ccc(cc1)[C@@H]2CC[C@@H](CCCCC)CC2
(2)InChI: InChI=1/C17H27BO2/c1-2-3-4-5-14-6-8-15(9-7-14)16-10-12-17(13-11-16)18(19)20/h10-15,19-20H,2-9H2,1H3/t14-,15-
(3)InChIKey: JFESOTHKCUMHGA-SHTZXODSBG
(4)Std. InChI: InChI=1S/C17H27BO2/c1-2-3-4-5-14-6-8-15(9-7-14)16-10-12-17(13-11-16)18(19)20/h10-15,19-20H,2-9H2,1H3/t14-,15-
(5)Std. InChIKey: JFESOTHKCUMHGA-SHTZXODSSA-N