3-Amino-4-nitrobenzotrifluoride

C₇H₅F₃N₂O₂CAS 402-14-2206.12 g/mol

Open in Covalent MOL file

Alkyl halide Nitro Primary amine

Properties

Molecular formula: C₇H₅F₃N₂O₂
Molar mass: 206.12 g/mol
Exact mass: 206.0303 Da
logP: 2.20Crippen estimate
Polar surface area: 69.2 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 1

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

402-14-2

SMILES

C1=CC(=C(C=C1C(F)(F)F)N)[N+](=O)[O-]

InChIKey

AUTLVHYEAAAKNM-UHFFFAOYSA-N

InChI

InChI=1S/C7H5F3N2O2/c8-7(9,10)4-1-2-6(12(13)14)5(11)3-4/h1-3H,11H2

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Names and synonyms

1 names

3-Amino-4-nitrobenzitrifluoride

Work with 3-Amino-4-nitrobenzotrifluoride

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

3-Fluoro-4-nitrobenzotrifluoride402-12-065 % similar 3-Chloro-4-nitrobenzotrifluoride402-11-963 % similar 2,5-Bis(trifluoromethyl)nitrobenzene320-88-762 % similar 4-Fluoro-3-nitrobenzotrifluoride367-86-261 % similar [2-Nitro-4-(trifluoromethyl)phenyl]hydrazine1513-50-460 % similar 5-Fluoro-2-nitrobenzenamine2369-11-159 % similar 4-Amino-3,5-dinitrobenzotrifluoride445-66-959 % similar 1-Chloro-2-nitro-4-(trifluoromethyl)benzene121-17-559 % similar

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

Same formula

1,2-Dihydro-2-oxo-6-(trifluoromethyl)-3-pyridinecarboxamide116548-03-9 4-Nitro-2-(trifluoromethyl)aniline121-01-7 2-Nitro-3-(trifluoromethyl)aniline386-71-0 4-Nitro-3-(trifluoromethyl)aniline393-11-3 2-Amino-4-nitrobenzotrifluoride393-49-7 2-Nitro-4-(trifluoromethyl)aniline400-98-6 3-Nitro-5-(trifluoromethyl)benzenamine401-94-5

Elsewhere

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