chempirical

3-Nitro-4-(trifluoromethoxy)aniline

C7H5F3N2O3CAS 2822-50-6222.12 g/mol

Open in Covalent MOL file
H2NN+OO−OFFF
Alkyl halideEtherNitroPrimary amine

Properties

Molecular formula
C7H5F3N2O3
Molar mass
222.12 g/mol
Exact mass
222.0252 Da
logP
2.08Crippen estimate
Polar surface area
78.4 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
2

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
2822-50-6
SMILES
C1=CC(=C(C=C1N)[N+](=O)[O-])OC(F)(F)F
InChIKey
QXIKEFNBFUHDHK-UHFFFAOYSA-N
InChI
InChI=1S/C7H5F3N2O3/c8-7(9,10)15-6-2-1-4(11)3-5(6)12(13)14/h1-3H,11H2

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Work with 3-Nitro-4-(trifluoromethoxy)aniline

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

2,4-Dinitro(trifluoromethoxy)benzene655-07-269 % similar 4-Methoxy-3-nitrobenzenamine577-72-063 % similar 2-(Trifluoromethoxy)nitrobenzene1644-88-862 % similar 3,4-Dinitroaniline610-41-357 % similar 4-Fluoro-3-nitroaniline364-76-155 % similar 4-Nitro-3-(trifluoromethyl)aniline393-11-355 % similar 5-Chloro-2-nitro-4-(trifluoromethoxy)benzenamine914637-23-354 % similar 3-Fluoro-4-(trifluoromethoxy)aniline1017779-69-954 % similar

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

Same formula

2-Nitro-4-(trifluoromethoxy)aniline2267-23-4

Elsewhere

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