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33265-71-3

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Basic Information
CAS No.: 33265-71-3
Name: 2-(1H-PYRROL-1-YL)BENZONITRILE
Article Data: 11
Molecular Structure:
Molecular Structure of 33265-71-3 (2-(1H-PYRROL-1-YL)BENZONITRILE)
Formula: C11H8N2
Molecular Weight: 168.198
Synonyms: Benzonitrile,o-pyrrol-1-yl- (8CI);1-(2-Cyanophenyl)pyrrole;
Density: 1.05 g/cm3
Melting Point: 51 °C
Boiling Point: 328.2 °C at 760 mmHg
Flash Point: 152.3 °C
PSA: 28.72000
LogP: 2.34898
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Specification

The Benzonitrile,2-(1H-pyrrol-1-yl)-, with the CAS registry number 33265-71-3, is also known as 1-(2-Cyanophenyl)pyrrole. It belongs to the product category of Phenyls & Phenyl-Het. This chemical's molecular formula is C11H8N2 and molecular weight is 168.19. What's more, its systematic name is 2-(1H-pyrrol-1-yl)benzonitrile.

Physical properties of Benzonitrile,2-(1H-pyrrol-1-yl)- are: (1)ACD/LogP: 2.52; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 28.72 Å2; (7)Index of Refraction: 1.589; (8)Molar Refractivity: 54.01 cm3; (9)Molar Volume: 160.1 cm3; (10)Surface Tension: 43.2 dyne/cm; (11)Density: 1.05 g/cm3; (12)Flash Point: 152.3 °C; (13)Enthalpy of Vaporization: 57.06 kJ/mol; (14)Boiling Point: 328.2 °C at 760 mmHg; (15)Vapour Pressure: 0.000193 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: N#Cc1ccccc1n2cccc2
(2)InChI: InChI=1S/C11H8N2/c12-9-10-5-1-2-6-11(10)13-7-3-4-8-13/h1-8H
(3)InChIKey: ZCTJXWVTLAHGAJ-UHFFFAOYSA-N