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98298-49-8

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Basic Information
CAS No.: 98298-49-8
Name: 4-(1H-IMIDAZOL-2-YL)-BENZONITRILE
Molecular Structure:
Molecular Structure of 98298-49-8 (4-(1H-IMIDAZOL-2-YL)-BENZONITRILE)
Formula: C10H7N3
Molecular Weight: 169.186
Synonyms: 4-(1H-imidazol-2-yl)benzonitrile;
Density: 1.27 g/cm3
Boiling Point: 423.8 °C at 760 mmHg
Flash Point: 138.9 °C
PSA: 52.47000
LogP: 1.94838
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Specification

The Benzonitrile,4-(1H-imidazol-2-yl)- is an organic compound with the formula C10H7N3. With the CAS registry number 98298-49-8, its systematic name is 4-(1H-imidazol-2-yl)benzonitrile.

Physical properties of Benzonitrile,4-(1H-imidazol-2-yl)-: (1)ACD/LogP: 1.53; (2)#H bond acceptors: 3; (3)#H bond donors: 1; (4)#Freely Rotating Bonds: 1; (5)Index of Refraction: 1.638; (6)Molar Refractivity: 47.74 cm3; (7)Molar Volume: 132.8 cm3; (8)Surface Tension: 68.3 dyne/cm; (9)Density: 1.27 g/cm3; (10)Flash Point: 138.9 °C; (11)Enthalpy of Vaporization: 67.82 kJ/mol; (12)Boiling Point: 423.8 °C at 760 mmHg; (13)Vapour Pressure: 2.18E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: N#Cc2ccc(c1nccn1)cc2
(2)InChI: InChI=1/C10H7N3/c11-7-8-1-3-9(4-2-8)10-12-5-6-13-10/h1-6H,(H,12,13)
(3)InChIKey: ISJCKCQDMBPKML-UHFFFAOYAY