Methyl 3-methoxy-4-nitrobenzoate

C₉H₉NO₅CAS 5081-37-8211.17 g/mol

Open in Covalent MOL file

Ester Ether Nitro

Properties

Molecular formula: C₉H₉NO₅
Molar mass: 211.17 g/mol
Exact mass: 211.0481 Da
logP: 1.39Crippen estimate
Polar surface area: 78.7 Å²
H-bond donors / acceptors: 0 / 5
Rotatable bonds: 3

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

5081-37-8

SMILES

COC1=C(C=CC(=C1)C(=O)OC)[N+](=O)[O-]

InChIKey

PVVFEPFLFHDHHK-UHFFFAOYSA-N

InChI

InChI=1S/C9H9NO5/c1-14-8-5-6(9(11)15-2)3-4-7(8)10(12)13/h3-5H,1-2H3

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Work with Methyl 3-methoxy-4-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

Methyl 3-methyl-4-nitrobenzoate24078-21-569 % similar Methyl 3-fluoro-4-nitrobenzoate185629-31-667 % similar Methyl 4-amino-3-nitrobenzoate3987-92-667 % similar 3-Methoxy-4-nitrobenzoic acid5081-36-767 % similar Methyl 3-hydroxy-4-nitrobenzoate713-52-067 % similar Dimethyl nitroterephthalate5292-45-567 % similar Methyl 4-chloro-3-methoxy-5-nitrobenzenecarboxylate63603-09-867 % similar Methyl 4-chloro-3-nitrobenzoate14719-83-665 % 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 2-Ethoxy-4-nitrobenzoic acid2486-66-0 Methyl 2-methoxy-5-nitrobenzoate34841-11-7 Methyl 3-methoxy-2-nitrobenzoate5307-17-5

Elsewhere

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