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CAS No.: | 40609-02-7 |
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Name: | 2-[2-(pyridin-3-yl)ethenyl]-1H-benzimidazole |
Molecular Structure: | |
Formula: | C14H11N3 |
Molecular Weight: | 221.2572 |
Density: | 1.289 g/cm3 |
Boiling Point: | 468.4 °C at 760 mmHg |
Flash Point: | 222.7 °C |
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This chemical is called 2-(2-Pyridin-3-ylethenyl)-1H-benzoimidazole. With the molecular formula of C14H11N3, its molecular weight is 221.2572. The CAS registry number of this chemical is 40609-02-7.
Other characteristics of the 2-(2-Pyridin-3-ylethenyl)-1H-benzoimidazole can be summarised as followings: (1)ACD/LogP: 3.07; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 30.71 Å2; (7)Index of Refraction: 1.782; (8)Molar Refractivity: 72.1 cm3; (9)Molar Volume: 171.5 cm3; (10)Polarizability: 28.58×10-24cm3; (11)Surface Tension: 68.6 dyne/cm; (12)Density: 1.289 g/cm3; (13)Flash Point: 222.7 °C; (14)Enthalpy of Vaporization: 73.06 kJ/mol; (15)Boiling Point: 468.4 °C at 760 mmHg; (16)Vapour Pressure: 5.99E-09 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: n1cccc(c1)C=Cc3nc2ccccc2n3
2.InChI: InChI=1/C14H11N3/c1-2-6-13-12(5-1)16-14(17-13)8-7-11-4-3-9-15-10-11/h1-10H,(H,16,17)
3.InChIKey: JFYMTTLMUVYQRB-UHFFFAOYAD