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23309-16-2

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Basic Information
CAS No.: 23309-16-2
Name: Imidazole, 1-(o-nitrophenyl)- (8CI)
Article Data: 44
Molecular Structure:
Molecular Structure of 23309-16-2 (Imidazole, 1-(o-nitrophenyl)- (8CI))
Formula: C9H7N3O2
Molecular Weight: 189.173
Synonyms: 1-(2-Nitrophenyl)-1H-imidazole;(2-Nitrophenyl)imidazole;
Density: 1.33 g/cm3
Melting Point: 97-98℃
Boiling Point: 375 °C at 760 mmHg
Flash Point: 180.6 °C
PSA: 63.64000
LogP: 2.30370
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Specification

The 1H-Imidazole, 1-(2-nitrophenyl)-, with the CAS registry number 23309-16-2, is also known as (2-Nitrophenyl)imidazole. This chemical's molecular formula is C9H7N3O2 and molecular weight is 189.17. What's more, its systematic name is 1-(2-nitrophenyl)-1H-imidazole. 

Physical properties of 1H-Imidazole, 1-(2-nitrophenyl)- are: (1)ACD/LogP: 1.71; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 5; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 63.64 Å2; (7)Index of Refraction: 1.65; (8)Molar Refractivity: 51.59 cm3; (9)Molar Volume: 141.3 cm3; (10)Polarizability: 20.45×10-24cm3; (11)Surface Tension: 58.9 dyne/cm; (12)Density: 1.33 g/cm3; (13)Flash Point: 180.6 °C; (14)Enthalpy of Vaporization: 59.81 kJ/mol; (15)Boiling Point: 375 °C at 760 mmHg; (16)Vapour Pressure: 1.73E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c1ccccc1n2ccnc2
(2)InChI: InChI=1S/C9H7N3O2/c13-12(14)9-4-2-1-3-8(9)11-6-5-10-7-11/h1-7H
(3)InChIKey: HESJLLCGKVDGIB-UHFFFAOYSA-N