Basic Information | Post buying leads | Suppliers |
Name |
1,2,4-Oxadiazole,3-(2-bromophenyl)-5-methyl- |
EINECS | N/A |
CAS No. | 859851-04-0 | Density | 1.528 g/cm3 |
PSA | 38.92000 | LogP | 2.80750 |
Solubility | N/A | Melting Point |
N/A |
Formula | C9H7BrN2O | Boiling Point | 339.7 °C at 760 mmHg |
Molecular Weight | 239.07 | Flash Point | 159.3 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
3-(2-Bromophenyl)-5-methyl-1,2,4-oxadiazole;3-(2-Bromophenyl)-5-methyl-1,2,4-oxadiazole 97%; |
With the CAS registry number 859851-04-0, the IUPAC name of 1,2,4-Oxadiazole,3-(2-bromophenyl)-5-methyl- is 3-(2-bromophenyl)-5-methyl-1,2,4-oxadiazole. The product's category is Pharmacetical. In addition, its molecular formula is C9H7BrN2O and its molecular weight is 239.07.
The other characteristics of 1,2,4-Oxadiazole,3-(2-bromophenyl)-5-methyl- can be summarized as: (1)ACD/LogP: 2.63; (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: 51.84 cm3; (9)Molar Volume: 156.4 cm3; (10)Polarizability: 20.55×10-24cm3; (11)Surface Tension: 47.6 dyne/cm; (12)Density: 1.528 g/cm3; (13)Flash Point: 159.3 °C; (14)Enthalpy of Vaporization: 56.01 kJ/mol; (15)Boiling Point: 339.7 °C at 760 mmHg; (16)Vapour Pressure: 0.000178 mmHg at 25 °C.
People can use the following data to convert to the molecule structure.
(1)SMILES: Brc1ccccc1c2nc(on2)C
(2)InChI: InChI=1/C9H7BrN2O/c1-6-11-9(12-13-6)7-4-2-3-5-8(7)10/h2-5H,1H3
(3)InChIKey: WLLDZYVHNSXWSY-UHFFFAOYAD
(4)Std. InChI: InChI=1S/C9H7BrN2O/c1-6-11-9(12-13-6)7-4-2-3-5-8(7)10/h2-5H,1H3
(5)Std. InChIKey: WLLDZYVHNSXWSY-UHFFFAOYSA-N