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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 | Hazard Symbols | Xi | |
Synonyms |
2-(3-Bromophenyl)-5-propyl-1,3,4-oxadiazole; |
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