chempirical

1-Methoxy-3,5-dinitrobenzene

C7H6N2O5CAS 5327-44-6198.13 g/mol

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ON+OO−N+OO−
EtherNitro

Properties

Molecular formula
C7H6N2O5
Molar mass
198.13 g/mol
Exact mass
198.0277 Da
Melting point
105.3 °C
logP
1.51Crippen estimate
Polar surface area
95.5 Ų
H-bond donors / acceptors
0 / 5
Rotatable bonds
3

Identifiers

CAS number
5327-44-6
SMILES
COc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1
InChIKey
OTMLGCBMOMNGCV-UHFFFAOYSA-N
InChI
InChI=1S/C7H6N2O5/c1-14-7-3-5(8(10)11)2-6(4-7)9(12)13/h2-4H,1H3

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Names and synonyms

4 names
  • Benzene, 1-methoxy-3,5-dinitro-
  • Anisole, 3,5-dinitro-
  • 3,5-Dinitroanisole
  • NSC 3331

Reactions

Work with 1-Methoxy-3,5-dinitrobenzene

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

1-Bromo-3-methoxy-5-nitrobenzene16618-67-074 % similar 3-Methoxy-5-nitrobenzenamine586-10-774 % similar 3-Nitroanisole555-03-368 % similar 4-Nitroanisole100-17-466 % similar 1,3,5-Trinitrobenzene99-35-463 % similar Trinitroanisole606-35-961 % similar 1,3-Dichloro-2-methoxy-5-nitrobenzene17742-69-758 % similar 1,2-Dimethoxy-4-nitrobenzene709-09-155 % similar

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

Same formula

2,4-Dinitroanisole119-27-7 2-Methyl-4,6-dinitrophenol534-52-1 2,6-Dinitro-P-cresol609-93-8 3,5-Dinitrobenzenemethanol71022-43-0

Elsewhere

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