Basic Information | Post buying leads | Suppliers |
Name |
5-Ethyl-3-(3-nitrophenyl)-1,2,4-oxadiazole |
EINECS | N/A |
CAS No. | 10364-69-9 | Density | 1.3 g/cm3 |
PSA | 84.74000 | LogP | 2.73040 |
Solubility | N/A | Melting Point |
N/A |
Formula | C10H9N3O3 | Boiling Point | 376.469 °C at 760 mmHg |
Molecular Weight | 219.2 | Flash Point | 181.483 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
3-m-Nitrophenyl-5-ethyl-1,2,4-oxadiazol;5-ethyl-3-(3-nitro-phenyl)-[1,2,4]oxadiazole;5-Aethyl-3-<3-nitro-phenyl>-1,2,4-oxdiazol; |
The IUPAC name of this chemical is 5-Ethyl-3-(3-nitrophenyl)-1,2,4-oxadiazolethe. The CAS registry number is 65505-18-2 . In addition, the formula is C10H9N3O3 and the molecular weight is 219.1968. It should be stored in a cool environment.
Physical properties about this chemical are: (1)ACD/LogP: 2.58; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.581; (4)ACD/LogD (pH 7.4): 2.581; (5)ACD/BCF (pH 5.5): 53.868; (6)ACD/BCF (pH 7.4): 53.868; (7)ACD/KOC (pH 5.5): 603.811; (8)ACD/KOC (pH 7.4): 603.811; (9)#H bond acceptors: 6; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 84.74 Å2; (13)Index of Refraction: 1.571; (14)Molar Refractivity: 55.422 cm3; (15)Molar Volume: 168.619 cm3; (16)Polarizability: 21.971 ×10-24cm3; (17)Surface Tension: 53.011 dyne/cm; (18)Density: 1.3 g/cm3; (19)Flash Point: 181.483 °C; (20)Enthalpy of Vaporization: 59.964 kJ/mol; (21)Boiling Point: 376.469 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: CCc1nc(no1)c2cccc(c2)[N+](=O)[O-]
(2)InChI: InChI=1/C10H9N3O3/c1-2-9-11-10(12-16-9)7-4-3-5-8(6-7)13(14)15/h3-6H,2H2,1H3
(3)InChIKey: MPQWRVZHBRBTEK-UHFFFAOYAM