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92286-43-6

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Basic Information
CAS No.: 92286-43-6
Name: 3-(4-CHLOROPHENYL)-5-(3-CHLOROPROPYL)-1,2,4-OXADIAZOLE
Article Data: 2
Molecular Structure:
Molecular Structure of 92286-43-6 (3-(4-CHLOROPHENYL)-5-(3-CHLOROPROPYL)-1,2,4-OXADIAZOLE)
Formula: C11H10Cl2N2O
Molecular Weight: 257.119
Synonyms: 1,2,4-Oxadiazole,3-(p-chlorophenyl)-5-(3-chloropropyl)- (7CI);
Density: 1.307g/cm3
Boiling Point: 384.3 °C at 760 mmHg
Flash Point: 186.2 °C
PSA: 38.92000
LogP: 3.56140
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Specification

The 1,2,4-Oxadiazole,3-(4-chlorophenyl)-5-(3-chloropropyl)-, with CAS registry number 92286-43-6, has the systematic name of 3-(4-chlorophenyl)-5-(3-chloropropyl)-1,2,4-oxadiazole. Its molecular weight is 257.1159. And the chemical formula of this chemical is C11H10Cl2N2O.

Physical properties of 1,2,4-Oxadiazole,3-(4-chlorophenyl)-5-(3-chloropropyl)-: (1)ACD/LogP: 4.03; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.03; (4)ACD/LogD (pH 7.4): 4.03; (5)ACD/BCF (pH 5.5): 681.7; (6)ACD/BCF (pH 7.4): 681.7; (7)ACD/KOC (pH 5.5): 3714.39; (8)ACD/KOC (pH 7.4): 3714.39; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 38.92 Å2; (13)Index of Refraction: 1.556; (14)Molar Refractivity: 63.25 cm3; (15)Molar Volume: 196.6 cm3; (16)Polarizability: 25.07×10-24cm3; (17)Surface Tension: 46.5 dyne/cm; (18)Density: 1.307 g/cm3; (19)Flash Point: 186.2 °C; (20)Enthalpy of Vaporization: 60.81 kJ/mol; (21)Boiling Point: 384.3 °C at 760 mmHg; (22)Vapour Pressure: 9.16E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc2ccc(c1nc(on1)CCCCl)cc2
(2)InChI: InChI=1/C11H10Cl2N2O/c12-7-1-2-10-14-11(15-16-10)8-3-5-9(13)6-4-8/h3-6H,1-2,7H2
(3)InChIKey: WAQWXSYGLUTHOT-UHFFFAOYAG
(4)Std. InChI: InChI=1S/C11H10Cl2N2O/c12-7-1-2-10-14-11(15-16-10)8-3-5-9(13)6-4-8/h3-6H,1-2,7H2
(5)Std. InChIKey: WAQWXSYGLUTHOT-UHFFFAOYSA-N