chempirical

1-Methoxy-2,3-dimethyl-4-nitrobenzene

C9H11NO3CAS 81029-03-0181.19 g/mol

Open in Covalent MOL file
ON+OO−
EtherNitro

Properties

Molecular formula
C9H11NO3
Molar mass
181.19 g/mol
Exact mass
181.0739 Da
logP
2.22Crippen estimate
Polar surface area
52.4 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
2

Identifiers

CAS number
81029-03-0
SMILES
COc1ccc([N+](=O)[O-])c(C)c1C
InChIKey
DUBFMQLUMHKYOX-UHFFFAOYSA-N
InChI
InChI=1S/C9H11NO3/c1-6-7(2)9(13-3)5-4-8(6)10(11)12/h4-5H,1-3H3

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

Names and synonyms

4 names
  • Benzene, 1-methoxy-2,3-dimethyl-4-nitro-
  • Anisole, 2,3-dimethyl-4-nitro-
  • 2,3-Dimethyl-4-nitroanisole
  • 4-Methoxy-2,3-dimethylnitrobenzene

Work with 1-Methoxy-2,3-dimethyl-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-3-nitrobenzene4837-88-174 % similar 1-Methoxy-4-methyl-2-nitrobenzene119-10-859 % similar 2-Methoxy-4-methyl-1-nitrobenzene38512-82-259 % similar O-Nitroanisole91-23-657 % similar 2,4-Dinitroanisole119-27-757 % similar 2,4-Dimethoxy-1-nitrobenzene4920-84-757 % similar 1,4-Dimethoxy-2-nitrobenzene89-39-457 % similar 2,6-Dinitrotoluene606-20-255 % similar

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

Same formula

2,3-Dimethoxybenzamide1521-39-7 3,4-Dimethoxybenzamide1521-41-1 3,5-Dimethoxybenzamide17213-58-0 (±)-O-Tyrosine2370-61-8 3-Acetyl-4,5-dimethyl-1H-pyrrole-2-carboxylic acid2386-33-6 Methyl 3-amino-4-methoxybenzoate24812-90-6 Methyl 4-amino-2-methoxybenzoate27492-84-8 Methyl (αR)-α-amino-4-hydroxybenzeneacetate37763-23-8

Elsewhere

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