chempirical

2-Methoxy-1-methyl-4-nitrobenzene

C8H9NO3CAS 13120-77-9167.16 g/mol

Open in Covalent MOL file
ON+OO−
EtherNitro

Properties

Molecular formula
C8H9NO3
Molar mass
167.16 g/mol
Exact mass
167.0582 Da
Melting point
69–70 °C
logP
1.91Crippen estimate
Polar surface area
52.4 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
2

Identifiers

CAS number
13120-77-9
SMILES
COc1cc([N+](=O)[O-])ccc1C
InChIKey
WVQGZNRUEVFXKR-UHFFFAOYSA-N
InChI
InChI=1S/C8H9NO3/c1-6-3-4-7(9(10)11)5-8(6)12-2/h3-5H,1-2H3

Weigh it out

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

Names and synonyms

7 names
  • Benzene, 2-methoxy-1-methyl-4-nitro-
  • Anisole, 2-methyl-5-nitro-
  • 2-Methoxy-4-nitrotoluene
  • 4-Nitro-2-methoxytoluene
  • 2-Methyl-5-nitroanisole
  • NSC 25213
  • 3-Methoxy-4-methylnitrobenzene

Work with 2-Methoxy-1-methyl-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

1-Methoxy-2-methyl-4-nitrobenzene50741-92-976 % similar 1,2-Dimethoxy-4-nitrobenzene709-09-173 % similar 2-Methoxy-4-nitroaniline97-52-967 % similar 1-Chloro-2-methoxy-4-nitrobenzene1009-36-565 % similar 2-Methoxy-4-nitrophenol3251-56-765 % similar 2-Iodo-1-methoxy-4-nitrobenzene5399-03-165 % similar 1-Bromo-2-methoxy-4-nitrobenzene77337-82-765 % similar 2,4-Dinitroanisole119-27-764 % similar

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

Same formula

2-(4-Nitrophenyl)ethanol100-27-6 P-Nitrophenetole100-29-8 1-Methoxy-4-methyl-2-nitrobenzene119-10-8 Glycin122-87-2 2,4-Dimethyl-6-nitrophenol14452-34-7 2-Nitrobenzeneethanol15121-84-3 4-Methoxy-1-methyl-2-nitrobenzene17484-36-5 Methyl 5-hydroxyanthranilate1882-72-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook