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CAS No.: | 6674-17-5 |
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Name: | 4-(5-CHLOROMETHYL-[1,2,4]OXADIAZOL-3-YL)-ANILINE |
Molecular Structure: | |
Formula: | C9H8ClN3O |
Molecular Weight: | 209.635 |
Synonyms: | trimethyl-[4-tris(4-trimethylsilylphenyl)silylphenyl]silane;4-(5-Chloromethyl-[1,2,4]oxadiazol-3-yl)-aniline; |
Density: | 1.361 g/cm3 |
Boiling Point: | 390.4 °C at 760 mmHg |
Flash Point: | 189.9 °C |
PSA: | 64.94000 |
LogP: | 2.63880 |
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This chemical is called 4-(5-Chloromethyl-1,2,4-oxadiazol-3-yl)aniline, and it can also be named as Benzenamine, 4-[5-(chloromethyl)-1,2,4-oxadiazol-3-yl]-. With the molecular formula of C9H8ClN3O, its molecular weight is 209.63. The CAS registry number of this chemical is 6674-17-5.
Other characteristics of the 4-(5-Chloromethyl-1,2,4-oxadiazol-3-yl)aniline can be summarised as followings: (1)ACD/LogP: 1.75; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.75; (4)ACD/LogD (pH 7.4): 1.75; (5)#H bond acceptors: 4; (6)#H bond donors: 2; (7)#Freely Rotating Bonds: 3; (8)Polar Surface Area: 64.94 Å2; (9)Index of Refraction: 1.609; (10)Molar Refractivity: 53.32 cm3; (11)Molar Volume: 153.9 cm3; (12)Polarizability: 21.14×10-24cm3; (13)Surface Tension: 57.5 dyne/cm; (14)Density: 1.361 g/cm3; (15)Flash Point: 189.9 °C; (16)Enthalpy of Vaporization: 63.99 kJ/mol; (17)Boiling Point: 390.4 °C at 760 mmHg; (18)Vapour Pressure: 2.65E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: Nc1ccc(cc1)c2nc(CCl)on2
2.InChI: InChI=1/C9H8ClN3O/c10-5-8-12-9(13-14-8)6-1-3-7(11)4-2-6/h1-4H,5,11H2
3.InChIKey: OJARUJXBQHAORJ-UHFFFAOYAX