chempirical

1,2-Dimethoxy-4-nitrobenzene

C8H9NO4CAS 709-09-1183.16 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
98 °C
logP
1.61Crippen estimate
Polar surface area
61.6 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
3

Identifiers

CAS number
709-09-1
SMILES
COc1ccc([N+](=O)[O-])cc1OC
InChIKey
YFWBUVZWCBFSQN-UHFFFAOYSA-N
InChI
InChI=1S/C8H9NO4/c1-12-7-4-3-6(9(10)11)5-8(7)13-2/h3-5H,1-2H3

Weigh it out

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

Names and synonyms

8 names
  • Benzene, 1,2-dimethoxy-4-nitro-
  • Veratrole, 4-nitro-
  • 3,4-Dimethoxynitrobenzene
  • 4-Nitroveratrole
  • 4-Nitro-1,2-dimethoxybenzene
  • NSC 10116
  • NSC 27974
  • NSC 93382

Work with 1,2-Dimethoxy-4-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

2,4-Dinitroanisole119-27-775 % similar 2-Methoxy-1-methyl-4-nitrobenzene13120-77-973 % similar 1-Methoxy-2-methyl-4-nitrobenzene50741-92-973 % similar 2-Methoxy-4-nitroaniline97-52-973 % similar 2-Methoxy-5-nitroaniline99-59-273 % similar 2-Methoxy-5-nitroaniline hydrochloride67827-72-971 % similar 1-Chloro-2-methoxy-4-nitrobenzene1009-36-571 % similar 2-Methoxy-4-nitrophenol3251-56-771 % similar

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

Same formula

2-(4-Nitrophenoxy)ethanol16365-27-8 2,4-Dimethoxy-1-nitrobenzene4920-84-7 4-Maleimidobutyric acid57078-98-5 1,4-Dimethoxy-2-nitrobenzene89-39-4

Elsewhere

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