Ethyl 2-amino-6-fluoro-3-nitrobenzoate

C₉H₉FN₂O₄CAS 150368-37-9228.18 g/mol

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Aryl halide Ester Nitro Primary amine

Properties

Molecular formula: C₉H₉FN₂O₄
Molar mass: 228.18 g/mol
Exact mass: 228.0546 Da
logP: 1.49Crippen estimate
Polar surface area: 95.5 Å²
H-bond donors / acceptors: 1 / 5
Rotatable bonds: 3

Identifiers

CAS number

150368-37-9

SMILES

CCOC(=O)c1c(F)ccc([N+](=O)[O-])c1N

InChIKey

PJSMHOIXOKZIMX-UHFFFAOYSA-N

InChI

InChI=1S/C9H9FN2O4/c1-2-16-9(13)7-5(10)3-4-6(8(7)11)12(14)15/h3-4H,2,11H2,1H3

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Names and synonyms

2 names

Benzoic acid, 2-amino-6-fluoro-3-nitro-, ethyl ester
2-Amino-6-fluoro-3-nitrobenzoic acid ethyl ester

Work with Ethyl 2-amino-6-fluoro-3-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

Ethyl 4-fluoro-3-nitrobenzoate367-80-662 % similar Ethyl o-nitrobenzoate610-34-452 % similar Ethyl 4-chloro-3-nitrobenzoate16588-16-248 % similar Ethyl 4-nitrobenzoate99-77-448 % similar 4-Hydroxy-3-nitrobenzoic acid ethyl ester19013-10-647 % similar 2-Fluoro-6-nitrobenzenamine17809-36-846 % similar Methyl 3-nitroanthranilate57113-91-445 % similar 1,3-Diethyl 5-nitro-1,3-benzenedicarboxylate10560-13-145 % similar

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

Elsewhere

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