chempirical

2,4-Dimethoxy-1-nitrobenzene

C8H9NO4CAS 4920-84-7183.16 g/mol

Open in Covalent MOL file
ON+OO−O
EtherNitro

Properties

Molecular formula
C8H9NO4
Molar mass
183.16 g/mol
Exact mass
183.0532 Da
Melting point
76.5 °C
logP
1.61Crippen estimate
Polar surface area
61.6 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
3

Identifiers

CAS number
4920-84-7
SMILES
COc1ccc([N+](=O)[O-])c(OC)c1
InChIKey
XXWIYOBCHKCWNT-UHFFFAOYSA-N
InChI
InChI=1S/C8H9NO4/c1-12-6-3-4-7(9(10)11)8(5-6)13-2/h3-5H,1-2H3

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Names and synonyms

4 names
  • Benzene, 2,4-dimethoxy-1-nitro-
  • 1,3-Dimethoxy-4-nitrobenzene
  • 2,4-Dimethoxynitrobenzene
  • NSC 62004

Work with 2,4-Dimethoxy-1-nitrobenzene

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-Methoxy-2-nitrobenzenamine16133-49-671 % similar 2-Methoxy-4-methyl-1-nitrobenzene38512-82-269 % similar 3-Methyl-4-nitroanisole5367-32-869 % similar 4-Bromo-2-methoxy-1-nitrobenzene103966-66-167 % similar 3-Methoxy-4-nitrophenol16292-95-867 % similar 4-Chloro-2-methoxy-1-nitrobenzene6627-53-867 % similar 5-Methoxy-2-nitrophenol704-14-367 % similar 4-Methoxy-1-methyl-2-nitrobenzene17484-36-564 % similar

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

Same formula

2-(4-Nitrophenoxy)ethanol16365-27-8 4-Maleimidobutyric acid57078-98-5 1,2-Dimethoxy-4-nitrobenzene709-09-1 1,4-Dimethoxy-2-nitrobenzene89-39-4

Elsewhere

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