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1,3,4-Oxadiazole,2-(3-bromophenyl)-5-propyl-

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Name

1,3,4-Oxadiazole,2-(3-bromophenyl)-5-propyl-

EINECS N/A
CAS No. 957065-95-1 Density 1.409 g/cm3
PSA 38.92000 LogP 3.45160
Solubility N/A Melting Point N/A
Formula C11H11BrN2O Boiling Point 363.4 °C at 760 mmHg
Molecular Weight 267.12 Flash Point 173.6 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 957065-95-1 (2-(3-Bromophenyl)-5-propyl-1,3,4-oxadiazole) Hazard Symbols IrritantXi
Synonyms

2-(3-Bromophenyl)-5-propyl-1,3,4-oxadiazole;

 

1,3,4-Oxadiazole,2-(3-bromophenyl)-5-propyl- Specification

The 1,3,4-Oxadiazole,2-(3-bromophenyl)-5-propyl- has the CAS registry number 957065-95-1. It belongs to the product categories of Classes of Azoles Compounds; Blocks Compounds; Bromides Compounds. This chemical's molecular formula is C11H11BrN2O and molecular weight is 267.12. What's more, its systematic name is 2-(3-Bromophenyl)-5-propyl-1,3,4-oxadiazole. This chemical is irritant, and may cause inflammation to the skin or other mucous membranes.

Physical properties of 1,3,4-Oxadiazole,2-(3-bromophenyl)-5-propyl- are: (1)ACD/LogP: 2.60; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.6; (4)ACD/LogD (pH 7.4): 2.6; (5)#H bond acceptors: 3; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 3; (8)Polar Surface Area: 38.92 Å2; (9)Index of Refraction: 1.559; (10)Molar Refractivity: 61.19 cm3; (11)Molar Volume: 189.4 cm3; (12)Polarizability: 24.26×10-24 cm3; (13)Surface Tension: 44.6 dyne/cm; (14)Density: 1.409 g/cm3; (15)Flash Point: 173.6 °C; (16)Enthalpy of Vaporization: 58.55 kJ/mol; (17)Boiling Point: 363.4 °C at 760 mmHg; (18)Vapour Pressure: 3.77E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CCCc1nnc(o1)c2cccc(c2)Br
(2)InChI: InChI=1S/C11H11BrN2O/c1-2-4-10-13-14-11(15-10)8-5-3-6-9(12)7-8/h3,5-7H,2,4H2,1H3
(3)InChIKey: MOGZBGQHSPXLMW-UHFFFAOYSA-N

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