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68019-66-9

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Basic Information
CAS No.: 68019-66-9
Name: 1-(4-METHOXYBENZYL)-4-NITRO-1H-IMIDAZOLE
Article Data: 2
Molecular Structure:
Molecular Structure of 68019-66-9 (1-(4-METHOXYBENZYL)-4-NITRO-1H-IMIDAZOLE)
Formula: C11H11N3O3
Molecular Weight: 233.227
Synonyms: 1-[(4-Methoxyphenyl)methyl]-4-nitro-1H-imidazole;
Density: 1.3 g/cm3
Boiling Point: 439 °C at 760 mmHg
Flash Point: 219.3 °C
PSA: 72.87000
LogP: 2.37140
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Specification

The 1H-Imidazole,1-[(4-methoxyphenyl)methyl]-4-nitro- has the CAS registry number 68019-66-9. This chemical's molecular formula is C11H11N3O3 and molecular weight is 233.22. What's more, its systematic name is 1-(4-methoxybenzyl)-4-nitro-1H-imidazole. 

Physical properties of 1H-Imidazole,1-[(4-methoxyphenyl)methyl]-4-nitro- are: (1)ACD/LogP: 1.56; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 6; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 72.87 Å2; (7)Index of Refraction: 1.608; (8)Molar Refractivity: 62.01 cm3; (9)Molar Volume: 179.1 cm3; (10)Polarizability: 24.58×10-24cm3; (11)Surface Tension: 51.6 dyne/cm; (12)Density: 1.3 g/cm3; (13)Flash Point: 219.3 °C; (14)Enthalpy of Vaporization: 66.91 kJ/mol; (15)Boiling Point: 439 °C at 760 mmHg; (16)Vapour Pressure: 1.7E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c1ncn(c1)Cc2ccc(OC)cc2
(2)InChI: InChI=1S/C11H11N3O3/c1-17-10-4-2-9(3-5-10)6-13-7-11(12-8-13)14(15)16/h2-5,7-8H,6H2,1H3
(3)InChIKey: VAXHFZPLOZDEGZ-UHFFFAOYSA-N