chempirical

2,6-Dinitro-4-(trifluoromethyl)phenol

C7H3F3N2O5CAS 393-77-1252.11 g/mol

Open in Covalent MOL file
ON+O−FFFN+OO−HO
Alkyl halideNitroPhenol

Properties

Molecular formula
C7H3F3N2O5
Molar mass
252.11 g/mol
Exact mass
251.9994 Da
Melting point
47–48 °C
logP
2.23Crippen estimate
Polar surface area
106.5 Ų
H-bond donors / acceptors
1 / 5
Rotatable bonds
2

Identifiers

CAS number
393-77-1
SMILES
O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1O
InChIKey
FXZGYEWQIGIFMC-UHFFFAOYSA-N
InChI
InChI=1S/C7H3F3N2O5/c8-7(9,10)3-1-4(11(14)15)6(13)5(2-3)12(16)17/h1-2,13H

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

4 names
  • Phenol, 2,6-dinitro-4-(trifluoromethyl)-
  • p-Cresol, α,α,α-trifluoro-2,6-dinitro-
  • 4-(Trifluoromethyl)-2,6-dinitrophenol
  • 4-Hydroxy-3,5-dinitrobenzotrifluoride

Work with 2,6-Dinitro-4-(trifluoromethyl)phenol

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-Chloro-3,5-dinitrobenzotrifluoride393-75-965 % similar 4-tert-Butyl-2,6-dinitrophenol4097-49-865 % similar 2-Nitro-4-(trifluoromethyl)phenol400-99-764 % similar 3-Nitro-5-(trifluoromethyl)-2(1H)-pyridinone33252-64-161 % similar 3,4-Difluoro-5-nitrobenzotrifluoride101646-01-959 % similar Picric acid88-89-159 % similar 3-Chloro-4-fluoro-5-nitrobenzotrifluoride101646-02-058 % similar 1-Nitro-3,5-bis(trifluoromethyl)benzene328-75-658 % similar

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

Elsewhere

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