Methyl 3-methoxy-2-nitrobenzoate

C₉H₉NO₅CAS 5307-17-5211.17 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

5307-17-5

SMILES

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

InChIKey

FDQQRLPHAAICCR-UHFFFAOYSA-N

InChI

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

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Names and synonyms

1 names

Benzoic acid, 3-methoxy-2-nitro-, methyl ester

Work with Methyl 3-methoxy-2-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-2-nitrobenzoate5471-82-971 % similar 3-Methoxy-2-nitrobenzoic acid4920-80-367 % similar Methyl 3-formyl-2-nitrobenzoate138229-59-166 % similar Methyl 2-nitrobenzoate606-27-961 % similar Methyl 2-methoxybenzoate606-45-161 % similar Dimethyl 3-nitrophthalate13365-26-960 % similar Methyl 3,4-dimethoxy-6-nitrobenzoate26791-93-560 % similar Methyl 3-nitroanthranilate57113-91-459 % 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-4-nitrobenzoate5081-37-8

Elsewhere

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