chempirical

Methyl 2-methoxy-5-nitrobenzoate

C9H9NO5CAS 34841-11-7211.17 g/mol

Open in Covalent MOL file
OON+OO−O
EsterEtherNitro

Properties

Molecular formula
C9H9NO5
Molar mass
211.17 g/mol
Exact mass
211.0481 Da
Melting point
95–97 °C
logP
1.39Crippen estimate
Polar surface area
78.7 Ų
H-bond donors / acceptors
0 / 5
Rotatable bonds
3

Identifiers

CAS number
34841-11-7
SMILES
COC(=O)c1cc([N+](=O)[O-])ccc1OC
InChIKey
DOBFJVVTBNTGCW-UHFFFAOYSA-N
InChI
InChI=1S/C9H9NO5/c1-14-8-4-3-6(10(12)13)5-7(8)9(11)15-2/h3-5H,1-2H3

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Names and synonyms

3 names
  • Benzoic acid, 2-methoxy-5-nitro-, methyl ester
  • o-Anisic acid, 5-nitro-, methyl ester
  • 2-Methoxy-5-nitrobenzoic acid methyl ester

Work with Methyl 2-methoxy-5-nitrobenzoate

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

Dimethyl 4-nitrophthalate610-22-074 % similar Methyl 5-nitrosalicylate17302-46-467 % similar Methyl 2-chloro-5-nitrobenzoate6307-82-067 % similar Methyl 2-chloro-4-nitrobenzoate13324-11-364 % similar Methyl 3,4-dimethoxy-6-nitrobenzoate26791-93-563 % similar 2,4-Dinitroanisole119-27-759 % similar Methyl 4-nitrobenzoate619-50-159 % similar 1-Methoxy-2-methyl-4-nitrobenzene50741-92-957 % similar

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

Same formula

4-Hydroxy-3-nitrobenzoic acid ethyl ester19013-10-6 Dmnb20357-25-9

Elsewhere

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