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CAS No.: | 119223-01-7 |
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Name: | 5-(chloromethyl)-3-cyclopropyl-1,2,4-oxadiazole(SALTDATA: FREE) |
Molecular Structure: | |
Formula: | C6H7ClN2O |
Molecular Weight: | 158.587 |
Synonyms: | 5-(chloromethyl)-3-cyclopropyl-1,2,4-oxadiazole(SALTDATA: FREE);1,2,4-OXADIAZOLE, 5-(CHLOROMETHYL)-3-CYCLOPROPYL- |
Density: | 1.386 g/cm3 |
Boiling Point: | 259.5 °C at 760 mmHg |
Flash Point: | 110.7 °C |
PSA: | 38.92000 |
LogP: | 1.68580 |
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This chemical is called 1,2,4-Oxadiazole, 5-(chloromethyl)-3-cyclopropyl-, and its systematic name is 5-(chloromethyl)-3-cyclopropyl-1,2,4-oxadiazole. With the molecular formula of C6H7ClN2O, its molecular weight is 158.59. The CAS registry number of this chemical is 119223-01-7.
Other characteristics of the can be summarised as followings: (1)ACD/BCF (pH 5.5): 1; (2)ACD/BCF (pH 7.4): 1; (3)ACD/KOC (pH 5.5): 23.21; (4)ACD/KOC (pH 7.4): 23.21; (5)#H bond acceptors: 3; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 2; (8)Polar Surface Area: 38.92 Å2; (9)Index of Refraction: 1.551; (10)Molar Refractivity: 36.52 cm3; (11)Molar Volume: 114.3 cm3; (12)Polarizability: 14.48×10-24cm3; (13)Surface Tension: 54.7 dyne/cm; (14)Density: 1.386 g/cm3; (15)Flash Point: 110.7 °C; (16)Enthalpy of Vaporization: 47.7 kJ/mol; (17)Boiling Point: 259.5 °C at 760 mmHg; (18)Vapour Pressure: 0.0209 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: ClCc1nc(no1)C2CC2
2.InChI: InChI=1/C6H7ClN2O/c7-3-5-8-6(9-10-5)4-1-2-4/h4H,1-3H2
3.InChIKey: YWRZTXKBYCOPMY-UHFFFAOYAZ