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[4-(trans-4-Pentylcyclohexyl)phenyl]boronic acid

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Name

[4-(trans-4-Pentylcyclohexyl)phenyl]boronic acid

EINECS N/A
CAS No. 143651-26-7 Density 1.018 g/cm3
PSA 40.46000 LogP 3.22050
Solubility N/A Melting Point N/A
Formula C17H27BO2 Boiling Point 421.073 °C at 760 mmHg
Molecular Weight 274.211 Flash Point 208.458 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 143651-26-7 (4-(TRANS-4-PENTYLCYCLOHEXYL) PHENYL BORONIC ACID) Hazard Symbols N/A
Synonyms

4-(Trans-4-pentylcyclohexyl)phenyl]-boronic acid;

Article Data 2

[4-(trans-4-Pentylcyclohexyl)phenyl]boronic acid 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

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