chempirical

3,5-Dinitrobenzenemethanol

C7H6N2O5CAS 71022-43-0198.13 g/mol

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ON+O−OHN+OO−
AlcoholNitro

Properties

Molecular formula
C7H6N2O5
Molar mass
198.13 g/mol
Exact mass
198.0277 Da
Melting point
89 °C
logP
1.00Crippen estimate
Polar surface area
106.5 Ų
H-bond donors / acceptors
1 / 5
Rotatable bonds
3

Identifiers

CAS number
71022-43-0
SMILES
O=[N+]([O-])c1cc(CO)cc([N+](=O)[O-])c1
InChIKey
GPHYIQCSMDYRGJ-UHFFFAOYSA-N
InChI
InChI=1S/C7H6N2O5/c10-4-5-1-6(8(11)12)3-7(2-5)9(13)14/h1-3,10H,4H2

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

Names and synonyms

4 names
  • Benzenemethanol, 3,5-dinitro-
  • Benzyl alcohol, 3,5-dinitro-
  • 3,5-Dinitrobenzyl alcohol
  • (3,5-Dinitro-phenyl)-methanol

Work with 3,5-Dinitrobenzenemethanol

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

3-Nitrobenzyl alcohol619-25-068 % similar 4-Nitrobenzyl alcohol619-73-866 % similar 1,3,5-Trinitrobenzene99-35-463 % similar 3,5-Dinitrobenzyl chloride74367-78-560 % similar 1-Bromo-3,5-dinitrobenzene18242-39-250 % similar 3,5-Dinitrobenzonitrile4110-35-450 % similar 3,5-Dinitroaniline618-87-150 % similar 4-Methyl-3-nitrobenzenemethanol40870-59-549 % similar

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

Same formula

2,4-Dinitroanisole119-27-7 1-Methoxy-3,5-dinitrobenzene5327-44-6 2-Methyl-4,6-dinitrophenol534-52-1 2,6-Dinitro-P-cresol609-93-8

Elsewhere

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