Name: 2-(3-NITRO-PHENYL)-1H-IMIDAZOLE
SKU: 13682-18-3

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Basic Information

Molecular Structure:
CAS No.:	13682-18-3
Name:	2-(3-NITRO-PHENYL)-1H-IMIDAZOLE
Article Data:	13

Formula:	C₉H₇N₃O₂
Molecular Weight:	189.173
Synonyms:	Imidazole,2-(m-nitrophenyl)- (8CI);2-(3-Nitrophenyl)imidazole;
Density:	1.37g/cm³
Melting Point:	173-174 °C
Boiling Point:	430.544 °C at 760 mmHg
Flash Point:	214.185 °C
PSA:	74.50000
LogP:	2.50810

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Specification

The 1H-Imidazole,2-(3-nitrophenyl)- is an organic compound with the formula C₉H₇N₃O₂. The IUPAC name of this chemical is 2-(3-nitrophenyl)-1H-imidazole. With the CAS registry number 13682-18-3, it is also named as 2-(3-Nitro-phenyl)-1H-imidazole.

Physical properties about 1H-Imidazole,2-(3-nitrophenyl)- are: (1)ACD/LogP: 1.79; (2)ACD/LogD (pH 5.5): 1.28; (3)ACD/LogD (pH 7.4): 1.78; (4)ACD/BCF (pH 5.5): 4.17; (5)ACD/BCF (pH 7.4): 13.15; (6)ACD/KOC (pH 5.5): 69.27; (7)ACD/KOC (pH 7.4): 218.35; (8)#H bond acceptors: 5; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 63.64 Å²; (12)Index of Refraction: 1.642; (13)Molar Refractivity: 49.91 cm³; (14)Molar Volume: 138.1 cm³; (15)Polarizability: 19.78×10^-24cm³; (16)Surface Tension: 63.5 dyne/cm; (17)Density: 1.369 g/cm³; (18)Flash Point: 214.2 °C; (19)Enthalpy of Vaporization: 65.95 kJ/mol; (20)Boiling Point: 430.5 °C at 760 mmHg; (21)Vapour Pressure: 3.23E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c1cccc(c1)c2nccn2
(2)InChI: InChI=1/C9H7N3O2/c13-12(14)8-3-1-2-7(6-8)9-10-4-5-11-9/h1-6H,(H,10,11)
(3)InChIKey: ZPWKGNWCVRBHJB-UHFFFAOYAY
(4)Std. InChI: InChI=1S/C9H7N3O2/c13-12(14)8-3-1-2-7(6-8)9-10-4-5-11-9/h1-6H,(H,10,11)
(5)Std. InChIKey: ZPWKGNWCVRBHJB-UHFFFAOYSA-N