chempirical

Tfm (piscicide)

C7H4F3NO3CAS 88-30-2207.11 g/mol

Open in Covalent MOL file
ON+O−OHFFF
Alkyl halideNitroPhenol

Properties

Molecular formula
C7H4F3NO3
Molar mass
207.11 g/mol
Exact mass
207.0143 Da
Melting point
76 °C
logP
2.32Crippen estimate
Polar surface area
63.4 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1

Identifiers

CAS number
88-30-2
SMILES
O=[N+]([O-])c1ccc(O)cc1C(F)(F)F
InChIKey
ZEFMBAFMCSYJOO-UHFFFAOYSA-N
InChI
InChI=1S/C7H4F3NO3/c8-7(9,10)5-3-4(12)1-2-6(5)11(13)14/h1-3,12H

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Names and synonyms

9 names
  • Phenol, 4-nitro-3-(trifluoromethyl)-
  • m-Cresol, α,α,α-trifluoro-4-nitro-
  • 4-Nitro-3-(trifluoromethyl)phenol
  • Lamprecid
  • α,α,α-Trifluoro-4-nitro-m-cresol
  • 3-(Trifluoromethyl)-4-nitrophenol
  • 1-Nitro-4-hydroxy-2-(trifluoromethyl)benzene
  • NSC 59758
  • 5-Hydroxy-2-nitrobenzotrifluoride

Work with Tfm (piscicide)

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-Fluoro-1-nitro-2-(trifluoromethyl)benzene393-09-965 % similar 5-Chloro-2-nitrobenzotrifluoride118-83-263 % similar 4-Nitro-3-(trifluoromethyl)aniline393-11-363 % similar 3-Fluoro-4-nitrophenol394-41-259 % similar 2-Nitrobenzotrifluoride384-22-558 % similar 3-Methyl-4-nitrophenol2581-34-255 % similar 5-Hydroxy-2-nitrobenzaldehyde42454-06-853 % similar Flutamide13311-84-752 % similar

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

Same formula

2-(Trifluoromethoxy)nitrobenzene1644-88-8 2-Hydroxy-6-(trifluoromethyl)nicotinicacid191595-63-8 3-(Trifluoromethyl)-5-nitrophenol349-57-5 2-Nitro-4-(trifluoromethyl)phenol400-99-7

Elsewhere

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