2-Nitro-4-(trifluoromethoxy)aniline

C₇H₅F₃N₂O₃CAS 2267-23-4222.12 g/mol

Open in Covalent MOL file

Alkyl halide Ether Nitro Primary 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 Å²
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

2267-23-4

SMILES

C1=CC(=C(C=C1OC(F)(F)F)[N+](=O)[O-])N

InChIKey

YCGFVAPIBALHRT-UHFFFAOYSA-N

InChI

InChI=1S/C7H5F3N2O3/c8-7(9,10)15-4-1-2-5(11)6(3-4)12(13)14/h1-3H,11H2

Weigh it out

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Work with 2-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

4-Methoxy-2-nitroaniline96-96-864 % similar 5-Chloro-2-nitro-4-(trifluoromethoxy)benzenamine914637-23-361 % similar 2-Nitro-4-(trifluoromethyl)aniline400-98-659 % similar 4-Ethoxy-2-nitroaniline616-86-458 % similar 4-Fluoro-2-nitroaniline364-78-356 % similar 1-Nitro-3-(trifluoromethoxy)benzene2995-45-155 % similar Nitro-p-phenylenediamine5307-14-254 % similar 2,4-Dinitroaniline97-02-954 % similar

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

Same formula

3-Nitro-4-(trifluoromethoxy)aniline2822-50-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook