Ethyl m-nitrobenzoate

C₉H₉NO₄CAS 618-98-4195.17 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₉H₉NO₄
Molar mass: 195.17 g/mol
Exact mass: 195.0532 Da
Melting point: 47 °C
Boiling point: 297 °C
logP: 1.77Crippen estimate
Polar surface area: 69.4 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 3

Identifiers

CAS number

618-98-4

SMILES

CCOC(=O)c1cccc([N+](=O)[O-])c1

InChIKey

MKBIJCPQTPFQKQ-UHFFFAOYSA-N

InChI

InChI=1S/C9H9NO4/c1-2-14-9(11)7-4-3-5-8(6-7)10(12)13/h3-6H,2H2,1H3

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

Names and synonyms

6 names

Benzoic acid, 3-nitro-, ethyl ester
Benzoic acid, m-nitro-, ethyl ester
Ethyl 3-nitrobenzoate
3-Nitrobenzoic acid ethyl ester
NSC 32740
NSC 6762

Work with Ethyl m-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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1,3-Diethyl 5-nitro-1,3-benzenedicarboxylate10560-13-174 % similar Ethyl 3,5-dinitrobenzoate618-71-374 % similar Ethyl 4-nitrobenzoate99-77-470 % similar Methyl 3-nitrobenzoate618-95-168 % similar Ethyl 3-nitro-β-oxobenzenepropanoate52119-38-767 % similar 1,3-Diethyl 1,3-benzenedicarboxylate636-53-365 % similar Ethyl 4-chloro-3-nitrobenzoate16588-16-264 % similar 1-(3-Nitrophenyl)-1-propanone17408-16-160 % similar

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

Same formula

5-Ethyl-2,3-pyridinedicarboxylic acid102268-15-5 4-Ethyl-3-nitrobenzoic acid103440-95-5 2-Hydroxyhippuric acid16555-77-4 3-(4-Nitrophenyl)propionic acid16642-79-8 2-(4-Nitrophenyl)propionic acid19910-33-9 2-Methyl-3-nitrobenzeneacetic acid23876-15-5 Methyl 3-methyl-4-nitrobenzoate24078-21-5 Salicylamide O-acetic acid25395-22-6

Elsewhere

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