chempirical

2-Amino-4-nitrobenzotrifluoride

C7H5F3N2O2CAS 393-49-7206.12 g/mol

Open in Covalent MOL file
N+OO−NH2FFF
Alkyl halideNitroPrimary 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 Ų
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
393-49-7
SMILES
C1=CC(=C(C=C1[N+](=O)[O-])N)C(F)(F)F
InChIKey
LGHXDTHJGNCRKT-UHFFFAOYSA-N
InChI
InChI=1S/C7H5F3N2O2/c8-7(9,10)5-2-1-4(12(13)14)3-6(5)11/h1-3H,11H2

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Work with 2-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

2-Chloro-4-nitrobenzotrifluoride151504-80-263 % similar 2-Methyl-4-nitrobenzotrifluoride1960-52-763 % similar 4-Nitro-1,2-phenylenediamine99-56-962 % similar 2-Fluoro-5-nitrobenzotrifluoride400-74-861 % similar 2-Fluoro-5-nitrobenzenamine369-36-859 % similar 2-Bromo-5-nitrobenzotrifluoride367-67-959 % similar 2-Chloro-5-nitrobenzotrifluoride777-37-759 % similar 1-Methoxy-4-nitro-2-(trifluoromethyl)benzene654-76-259 % 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-Nitro-4-(trifluoromethyl)aniline400-98-6 3-Nitro-5-(trifluoromethyl)benzenamine401-94-5 3-Amino-4-nitrobenzotrifluoride402-14-2

Elsewhere

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