chempirical

1,2-Dimethoxy-4,5-dinitrobenzene

C8H8N2O6CAS 3395-03-7228.16 g/mol

Open in Covalent MOL file
ON+OO−N+OO−O
EtherNitro

Properties

Molecular formula
C8H8N2O6
Molar mass
228.16 g/mol
Exact mass
228.0382 Da
logP
1.52Crippen estimate
Polar surface area
104.7 Ų
H-bond donors / acceptors
0 / 6
Rotatable bonds
4

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
3395-03-7
SMILES
COC1=C(C=C(C(=C1)[N+](=O)[O-])[N+](=O)[O-])OC
InChIKey
WFDHPWTYKOAFBJ-UHFFFAOYSA-N
InChI
InChI=1S/C8H8N2O6/c1-15-7-3-5(9(11)12)6(10(13)14)4-8(7)16-2/h3-4H,1-2H3

Weigh it out

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

Work with 1,2-Dimethoxy-4,5-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

DMNB20357-25-969 % similar 2,5-Dimethoxy-4-nitrobenzenamine6313-37-768 % similar 4,5-Dimethoxy-2-nitrobenzenemethanol1016-58-667 % similar 4,5-Dimethoxy-2-nitrobenzonitrile102714-71-667 % similar 1-Chloro-2,5-dimethoxy-4-nitrobenzene6940-53-066 % similar 1-(4,5-Dimethoxy-2-nitrophenyl)ethanone4101-32-065 % similar O-Nitroanisole91-23-663 % similar Methyl 3,4-dimethoxy-6-nitrobenzoate26791-93-563 % similar

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

Elsewhere

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