chempirical

4'-Nitro-2'-(trifluoromethyl)acetanilide

C9H7F3N2O3CAS 395-68-6248.16 g/mol

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OHNN+OO−FFF
Alkyl halideAmideNitro

Properties

Molecular formula
C9H7F3N2O3
Molar mass
248.16 g/mol
Exact mass
248.0409 Da
logP
2.57Crippen estimate
Polar surface area
72.2 Ų
H-bond donors / acceptors
1 / 3
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
395-68-6
SMILES
CC(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])C(F)(F)F
InChIKey
RBEVUHKSMGYLIF-UHFFFAOYSA-N
InChI
InChI=1S/C9H7F3N2O3/c1-5(15)13-8-3-2-6(14(16)17)4-7(8)9(10,11)12/h2-4H,1H3,(H,13,15)

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Names and synonyms

1 names
  • 4-Nitro-2-(trifluoromethyl)acetanilide

Work with 4'-Nitro-2'-(trifluoromethyl)acetanilide

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-Methyl-5-nitrobenzotrifluoride89976-12-559 % similar 2-Methyl-4-nitrobenzotrifluoride1960-52-756 % similar 4'-Fluoro-2'-nitroacetanilide448-39-554 % similar 2-Fluoro-5-nitrobenzotrifluoride400-74-853 % similar 4-Nitro-2-(trifluoromethyl)benzoic acid320-37-653 % similar 4-Nitro-2-(trifluoromethyl)aniline121-01-752 % similar 2-Bromo-5-nitrobenzotrifluoride367-67-952 % similar 2-Chloro-5-nitrobenzotrifluoride777-37-752 % similar

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

Same formula

4-Nitro-3-trifluoromethylacetanilide393-12-4

Elsewhere

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