chempirical

4-Methoxy-1-methyl-2-nitrobenzene

C8H9NO3CAS 17484-36-5167.16 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
17 °C
Boiling point
266.5 °C
logP
1.91Crippen estimate
Polar surface area
52.4 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
2

Identifiers

CAS number
17484-36-5
SMILES
COc1ccc(C)c([N+](=O)[O-])c1
InChIKey
JBORNNNGTJSTLC-UHFFFAOYSA-N
InChI
InChI=1S/C8H9NO3/c1-6-3-4-7(12-2)5-8(6)9(10)11/h3-5H,1-2H3

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Names and synonyms

6 names
  • Benzene, 4-methoxy-1-methyl-2-nitro-
  • Anisole, 4-methyl-3-nitro-
  • 4-Methyl-3-nitroanisole
  • 4-Methoxy-2-nitrotoluene
  • 2-Nitro-4-methoxytoluene
  • 3-Nitro-4-methylanisole

Work with 4-Methoxy-1-methyl-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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

3-Methyl-4-nitroanisole5367-32-882 % similar 1,4-Dimethoxy-2-nitrobenzene89-39-469 % similar 4-Methoxy-2-nitroaniline96-96-867 % similar 1-Chloro-4-methoxy-2-nitrobenzene10298-80-365 % similar 1-Bromo-4-methoxy-2-nitrobenzene5344-78-565 % similar 5-Methoxy-2-nitrobenzenamine16133-49-664 % similar 2,4-Dimethoxy-1-nitrobenzene4920-84-764 % similar 4-Methoxy-2-nitrobenzaldehyde22996-21-062 % 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-Methoxy-1-methyl-4-nitrobenzene13120-77-9 2,4-Dimethyl-6-nitrophenol14452-34-7 2-Nitrobenzeneethanol15121-84-3 Methyl 5-hydroxyanthranilate1882-72-0

Elsewhere

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