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59455-91-3

Basic Information
CAS No.: 59455-91-3
Name: 5-(Dichloromethyl)-3-p-tolyl-1,2,4-oxadiazole
Molecular Structure:
Molecular Structure of 59455-91-3 (5-(Dichloromethyl)-3-p-tolyl-1,2,4-oxadiazole)
Formula: C10H8Cl2N2O
Molecular Weight: 243.092
Synonyms: 5-(dichlorophenyl)-3-p-toly-1,2,4-oxadiazole
Density: 1.35 g/cm3
Boiling Point: 334.96 °C at 760 mmHg
Flash Point: 156.379 °C
PSA: 38.92000
LogP: 3.52120
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Specification

The 5-(Dichloromethyl)-3-p-tolyl-1, 2, 4-oxadiazole has CAS registry number 59455-91-3. This chemical's molecular formula is C10H8Cl2N2O and molecular weight is 243.09. What's more, its systematic name is 5-(Dichloromethyl)-3-(p-tolyl)-1,2,4-oxadiazole.

Physical properties about 5-(Dichloromethyl)-3-p-tolyl-1, 2, 4-oxadiazole are: (1)ACD/LogP: 1.85; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.852; (4)ACD/LogD (pH 7.4): 1.852; (5)ACD/BCF (pH 5.5): 15.054; (6)ACD/BCF (pH 7.4): 15.054; (7)ACD/KOC (pH 5.5): 242.433; (8)ACD/KOC (pH 7.4): 242.433; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 38.92 Å2; (13)Index of Refraction: 1.566; (14)Molar Refractivity: 58.77 cm3; (15)Molar Volume: 180.063 cm3; (16)Polarizability: 23.298×10-24 cm3; (17)Surface Tension: 47.577 dyne/cm; (18)Density: 1.35 g/cm3; (19)Flash Point: 156.379 °C; (20)Enthalpy of Vaporization: 55.506 kJ/mol; (21)Boiling Point: 334.96 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Cc1ccc(cc1)c2nc(on2)C(Cl)Cl
(2) InChI: InChI=1/C10H8Cl2N2O/c1-6-2-4-7(5-3-6)9-13-10(8(11)12)15-14-9/h2-5,8H,1H3
(3) InChIKey: KOZUNEPMJRLDSB-UHFFFAOYAF