chempirical

5-(4-Nitro-phenyl)-2H-tetrazole

C7H5N5O2CAS 16687-60-8191.15 g/mol

Open in Covalent MOL file
NHNNNN+OO−
Nitro

Properties

Molecular formula
C7H5N5O2
Molar mass
191.15 g/mol
Exact mass
191.0443 Da
logP
0.77Crippen estimate
Polar surface area
97.6 Ų
H-bond donors / acceptors
1 / 5
Rotatable bonds
2

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
16687-60-8
SMILES
C1=CC(=CC=C1C2=NNN=N2)[N+](=O)[O-]
InChIKey
MIUOBAHGBPSRKY-UHFFFAOYSA-N
InChI
InChI=1S/C7H5N5O2/c13-12(14)6-3-1-5(2-4-6)7-8-10-11-9-7/h1-4H,(H,8,9,10,11)

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Names and synonyms

1 names
  • 5-(4-Nitrophenyl)-1H-tetrazole

Work with 5-(4-Nitro-phenyl)-2H-tetrazole

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

Similar compounds

5-[4-(2H-Tetrazol-5-yl)phenyl]-2H-tetrazole6926-49-460 % similar 4,4′-Dinitro-1,1′-biphenyl1528-74-155 % similar 1,4-Dinitrobenzene100-25-450 % similar 5-Phenyltetrazole18039-42-450 % similar 5-(4-Methylphenyl)-2H-tetrazole24994-04-550 % similar 5-(4-Fluorophenyl)-1H-tetrazole50907-21-650 % similar 5-(4-Bromophenyl)-2H-tetrazole50907-23-850 % similar 4-(1H-Tetrazol-5-yl)benzaldehyde74815-22-850 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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