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Basic Information
CAS No.: 41491-53-6
Name: 2-(3-Bromophenyl)-5-methyl-1,3,4-oxadiazole
Article Data: 6
Molecular Structure:
Molecular Structure of 41491-53-6 (2-(3-Bromophenyl)-5-methyl-1,3,4-oxadiazole)
Formula: C9H7BrN2O
Molecular Weight: 239.071
Synonyms: 2-(3-Bromophenyl)-5-methyl-1,3,4-oxadiazole;
Density: 1.528 g/cm3
Boiling Point: 340.8 °C at 760 mmHg
Flash Point: 159.9 °C
Hazard Symbols: IrritantXi
PSA: 38.92000
LogP: 2.80750
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Specification

The 1,3,4-Oxadiazole,2-(3-bromophenyl)-5-methyl- has the CAS registry number 41491-53-6. It belongs to the product categories of Azoles; Blocks; Bromides. This chemical's molecular formula is C9H7BrN2O and molecular weight is 239.07. What's more, its systematic name is 2-(3-Bromophenyl)-5-methyl-1,3,4-oxadiazole. 

Physical properties of 1,3,4-Oxadiazole,2-(3-bromophenyl)-5-methyl- are: (1)ACD/LogP: 1.54; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.54; (4)ACD/LogD (pH 7.4): 1.54; (5)#H bond acceptors: 3; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 1; (8)Polar Surface Area: 38.92 Å2; (9)Index of Refraction: 1.577; (10)Molar Refractivity: 51.84 cm3; (11)Molar Volume: 156.4 cm3; (12)Polarizability: 20.55×10-24cm3; (13)Surface Tension: 47.6 dyne/cm; (14)Density: 1.528 g/cm3; (15)Flash Point: 159.9 °C; (16)Enthalpy of Vaporization: 56.13 kJ/mol; (17)Boiling Point: 340.8 °C at 760 mmHg; (18)Vapour Pressure: 0.000165 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Cc1nnc(o1)c2cccc(c2)Br
(2)InChI: InChI=1S/C9H7BrN2O/c1-6-11-12-9(13-6)7-3-2-4-8(10)5-7/h2-5H,1H3
(3)InChIKey: KFORTEWAPHTQIB-UHFFFAOYSA-N