Name: 5-(Chloromethyl)-3-methyl-1,2,4-oxadiazole
SKU: 1192-81-0

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Basic Information

Molecular Structure:
CAS No.:	1192-81-0
Name:	5-(Chloromethyl)-3-methyl-1,2,4-oxadiazole
Article Data:	6

Formula:	C₄H₅ClN₂O
Molecular Weight:	132.549
Synonyms:	1,2,4-Oxadiazole, 5-(chloromethyl)-3-methyl-;
Density:	1.291 g/cm³
Boiling Point:	211.669 °C at 760 mmHg
Flash Point:	81.815 °C
PSA:	38.92000
LogP:	1.11680

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Specification

The 5-(Chloromethyl)-3-methyl-1, 2, 4-oxadiazole, with the CAS registry number 1192-81-0, is also known as 1, 2, 4-Oxadiazole, 5-(chloromethyl)-3-methyl-.This chemical's molecular formula is C₄H₅ClN₂O and molecular weight is 132.01. What's more, its systematic name is 5-(Chloromethyl)-3-methyl-1, 2, 4-oxadiazole.

Physical properties about 5-(Chloromethyl)-3-methyl-1, 2, 4-oxadiazole are: (1)ACD/LogP: 0.55; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0; (4)ACD/LogD (pH 7.4): 0; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 24; (8)ACD/KOC (pH 7.4): 24; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 38.92 Å²; (13)Index of Refraction: 1.483; (14)Molar Refractivity: 29.326 cm³; (15)Molar Volume: 102.646 cm³; (16)Polarizability: 11.626×10^-24 cm³; (17)Surface Tension: 42.736 dyne/cm; (18)Density: 1.291 g/cm³; (19)Flash Point: 81.815 °C; (20)Enthalpy of Vaporization: 42.97 kJ/mol; (21)Boiling Point: 211.669 °C at 760 mmHg; (22)Vapour Pressure: 0.262 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: ClCc1nc(C)no1
(2) InChI: InChI=1/C4H5ClN2O/c1-3-6-4(2-5)8-7-3/h2H2,1H3
(3) InChIKey: FYDQQEVRVKAASZ-UHFFFAOYAX