Basic Information | Post buying leads | Suppliers |
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 | Hazard Symbols | N/A | |
Synonyms |
5-Cyclohexyl-3-(3-nitrophenyl)-1,2,4-oxadiazole |
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