Basic Information | Post buying leads | Suppliers |
Name |
3-(3-Bromophenyl)-5-methyl-1,2,4-oxadiazole |
EINECS | N/A |
CAS No. | 160377-57-1 | Density | 1.528 g/cm3 |
PSA | 38.92000 | LogP | 2.80750 |
Solubility | N/A | Melting Point |
81 °C |
Formula | C9H7BrN2O | Boiling Point | 340.829 °C at 760 mmHg |
Molecular Weight | 239.071 | Flash Point | 159.928 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
3-(3-Bromophenyl)-5-methyl-1,2,4-oxadiazole; |
This chemical is called 3-(3-Bromophenyl)-5-methyl-1,2,4-oxadiazole, and it can also be named as 1,2,4-oxadiazole, 3-(3-bromophenyl)-5-methyl-. With the molecular formula of C9H7BrN2O, its molecular weight is 239.07. The CAS registry number of this chemical is 160377-57-1.
Other characteristics of the 3-(3-Bromophenyl)-5-methyl-1,2,4-oxadiazole can be summarised as followings: (1)ACD/LogP: 2.86; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 38.92 Å2; (7)Index of Refraction: 1.577; (8)Molar Refractivity: 51.842 cm3; (9)Molar Volume: 156.42 cm3; (10)Polarizability: 20.552×10-24cm3; (11)Surface Tension: 47.686 dyne/cm; (12)Density: 1.528 g/cm3; (13)Flash Point: 159.928 °C; (14)Enthalpy of Vaporization: 56.129 kJ/mol; (15)Boiling Point: 340.829 °C at 760 mmHg; (16)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: Brc1cccc(c1)c2nc(on2)C
2.InChI: InChI=1/C9H7BrN2O/c1-6-11-9(12-13-6)7-3-2-4-8(10)5-7/h2-5H,1H3
3.InChIKey:GTYLSVIVKRJHIQ-UHFFFAOYAY