chempirical

4-Fluoro-2-methoxy-5-nitroaniline

C7H7FN2O3CAS 1075705-01-9186.14 g/mol

Open in Covalent MOL file
OH2NN+OO−F
Aryl halideEtherNitroPrimary amine

Properties

Molecular formula
C7H7FN2O3
Molar mass
186.14 g/mol
Exact mass
186.0441 Da
logP
1.32Crippen estimate
Polar surface area
78.4 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
2

Identifiers

CAS number
1075705-01-9
SMILES
COC1=CC(=C(C=C1N)[N+](=O)[O-])F
InChIKey
FYSIGSQCZXQTIH-UHFFFAOYSA-N
InChI
InChI=1S/C7H7FN2O3/c1-13-7-2-4(8)6(10(11)12)3-5(7)9/h2-3H,9H2,1H3

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Work with 4-Fluoro-2-methoxy-5-nitroaniline

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

2,5-Dimethoxy-4-nitrobenzenamine6313-37-768 % similar 2,4-Dinitro-5-fluoroaniline367-81-762 % similar 2-Bromo-5-fluoro-4-nitrobenzenamine952664-69-656 % similar 4,5-Difluoro-2-nitroaniline78056-39-055 % similar 1,5-Difluoro-2,4-dinitrobenzene327-92-454 % similar 2-Methoxy-4-nitroaniline97-52-954 % similar 2-Methoxy-5-nitroaniline99-59-254 % similar 1,2,4-Trifluoro-5-nitrobenzene2105-61-553 % similar

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

Elsewhere

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