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5-Cyclohexyl-3-(3-nitrophenyl)-1,2,4-oxadiazole

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Name

5-Cyclohexyl-3-(3-nitrophenyl)-1,2,4-oxadiazole

EINECS N/A
CAS No. 442571-86-0 Density 1.259 g/cm3
PSA 84.74000 LogP 4.21570
Solubility N/A Melting Point N/A
Formula C14H15N3O3 Boiling Point 442.2 °C at 760 mmHg
Molecular Weight 273.2872 Flash Point 221.2 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 442571-86-0 (5-Cyclohexyl-3-(3-nitrophenyl)-1,2,4-oxadiazole) Hazard Symbols N/A
Synonyms

5-Cyclohexyl-3-(3-nitrophenyl)-1,2,4-oxadiazole

 

5-Cyclohexyl-3-(3-nitrophenyl)-1,2,4-oxadiazole Specification

The CAS registry number of 5-Cyclohexyl-3-(3-nitrophenyl)-1,2,4-oxadiazole is 3438-52-6. The IUPAC name is Methyl 5-cyclohexyl-3-(3-nitrophenyl)-1,2,4-oxadiazole. In addition, the formula is C14H15N3O3 and the molecular weight is 273.2872. It should be stored in a cool environment.

Physical properties about this chemical are: (1)ACD/LogP: 4.25; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 6; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 84.74 Å2; (7)Index of Refraction: 1.575; (8)Molar Refractivity: 71.73 cm3; (9)Molar Volume: 217 cm3; (10)Polarizability: 28.43 ×10-24cm3; (11)Surface Tension: 52.7 dyne/cm; (12)Density: 1.259 g/cm3; (13)Flash Point: 221.2 °C; (14)Enthalpy of Vaporization: 67.27 kJ/mol; (15)Boiling Point: 442.2 °C at 760 mmHg; (16)Vapour Pressure: 1.33E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c1cccc(c1)c2nc(on2)C3CCCCC3
(2)InChI: InChI=1/C14H15N3O3/c18-17(19)12-8-4-7-11(9-12)13-15-14(20-16-13)10-5-2-1-3-6-10/h4,7-10H,1-3,5-6H2
(3)InChIKey: WQLIQMGJEJUWCQ-UHFFFAOYAM

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