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160377-57-1

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Basic Information
CAS No.: 160377-57-1
Name: 3-(3-BROMOPHENYL)-5-METHYL-1,2,4-OXADIAZOLE
Molecular Structure:
Molecular Structure of 160377-57-1 (3-(3-BROMOPHENYL)-5-METHYL-1,2,4-OXADIAZOLE)
Formula: C9H7BrN2O
Molecular Weight: 239.071
Synonyms: 3-(3-Bromophenyl)-5-methyl-1,2,4-oxadiazole;
Density: 1.528 g/cm3
Melting Point: 81 °C
Boiling Point: 340.829 °C at 760 mmHg
Flash Point: 159.928 °C
PSA: 38.92000
LogP: 2.80750
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Specification

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