chempirical

1,4-Dimethoxy-2-nitrobenzene

C8H9NO4CAS 89-39-4183.16 g/mol

Open in Covalent MOL file
OON+OO−
EtherNitro

Properties

Molecular formula
C8H9NO4
Molar mass
183.16 g/mol
Exact mass
183.0532 Da
Melting point
72.5 °C
logP
1.61Crippen estimate
Polar surface area
61.6 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
3

Identifiers

CAS number
89-39-4
SMILES
COc1ccc(OC)c([N+](=O)[O-])c1
InChIKey
UPTOWXNJLZJTGD-UHFFFAOYSA-N
InChI
InChI=1S/C8H9NO4/c1-12-6-3-4-8(13-2)7(5-6)9(10)11/h3-5H,1-2H3

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Names and synonyms

5 names
  • Benzene, 1,4-dimethoxy-2-nitro-
  • 2,5-Dimethoxynitrobenzene
  • Nitrohydroquinone dimethyl ether
  • NSC 1321
  • NSC 37986

Work with 1,4-Dimethoxy-2-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-Dinitroanisole119-27-771 % similar 1-Methoxy-4-methyl-2-nitrobenzene119-10-869 % similar 4-Methoxy-1-methyl-2-nitrobenzene17484-36-569 % similar 4-Methoxy-2-nitroaniline96-96-869 % similar 1-Chloro-4-methoxy-2-nitrobenzene10298-80-367 % similar 4-Bromo-1-methoxy-2-nitrobenzene33696-00-367 % similar 1-Bromo-4-methoxy-2-nitrobenzene5344-78-567 % similar 4-Methoxy-3-nitrobenzenamine577-72-067 % 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 1,2-Dimethoxy-4-nitrobenzene709-09-1

Elsewhere

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