chempirical

1-(4-Nitrophenyl)-1H-imidazole

C9H7N3O2CAS 2301-25-9189.17 g/mol

Open in Covalent MOL file
ON+O−NN
NitroTertiary Amine

Properties

Molecular formula
C9H7N3O2
Molar mass
189.17 g/mol
Exact mass
189.0538 Da
Melting point
195–198 °C
logP
1.78Crippen estimate
Polar surface area
61.0 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
2

Identifiers

CAS number
2301-25-9
SMILES
O=[N+]([O-])c1ccc(-n2ccnc2)cc1
InChIKey
PUCOOPJLAXJKOO-UHFFFAOYSA-N
InChI
InChI=1S/C9H7N3O2/c13-12(14)9-3-1-8(2-4-9)11-6-5-10-7-11/h1-7H

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

6 names
  • 1H-Imidazole, 1-(4-nitrophenyl)-
  • Imidazole, 1-(p-nitrophenyl)-
  • 1-(p-Nitrophenyl)imidazole
  • 1-(4-Nitrophenyl)imidazole
  • 4-(Imidazol-1-yl)nitrobenzene
  • 4-(1H-Imidazol-1-yl)-1-nitrobenzene

Work with 1-(4-Nitrophenyl)-1H-imidazole

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Same formula

5-Amino-6-nitroquinoline35975-00-9

Elsewhere

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