chempirical

4-Chloro-3,5-dinitrobenzotrifluoride

C7H2ClF3N2O4CAS 393-75-9270.55 g/mol

Open in Covalent MOL file
ON+O−FFFN+OO−Cl
Alkyl halideAryl halideNitro

Properties

Molecular formula
C7H2ClF3N2O4
Molar mass
270.55 g/mol
Exact mass
269.9655 Da
Melting point
57 °C
logP
3.18Crippen estimate
Polar surface area
86.3 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
2

Identifiers

CAS number
393-75-9
SMILES
O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1Cl
InChIKey
HFHAVERNVFNSHL-UHFFFAOYSA-N
InChI
InChI=1S/C7H2ClF3N2O4/c8-6-4(12(14)15)1-3(7(9,10)11)2-5(6)13(16)17/h1-2H

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Names and synonyms

13 names · show all
  • Benzene, 2-chloro-1,3-dinitro-5-(trifluoromethyl)-
  • Toluene, 4-chloro-α,α,α-trifluoro-3,5-dinitro-
  • 2-Chloro-1,3-dinitro-5-(trifluoromethyl)benzene
  • 2,6-Dinitro-4-(trifluoromethyl)chlorobenzene
  • 3,5-Dinitro-4-chlorobenzotrifluoride
  • 4-Chloro-3,5-dinitro-α,α,α-trifluorotoluene
  • 4-(Trifluoromethyl)-2,6-dinitrochlorobenzene
  • 1-Chloro-2,6-dinitro-4-(trifluoromethyl)benzene
  • 4-Chloro-α,α,α-trifluoro-3,5-dinitrotoluene
  • 1,3-Dinitro-2-chloro-5-(trifluoromethyl)benzene
  • Chloralin
  • NSC 88274
  • 3,5-Dinitro-4-chlorotrifluoromethylbenzene

Work with 4-Chloro-3,5-dinitrobenzotrifluoride

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-Chloro-4-fluoro-5-nitrobenzotrifluoride101646-02-067 % similar 2,6-Dinitro-4-(trifluoromethyl)phenol393-77-165 % similar 1-Chloro-2-nitro-4-(trifluoromethyl)benzene121-17-564 % similar 2,4-Dichloro-3,5-dinitrobenzotrifluoride29091-09-662 % similar 3,4-Difluoro-5-nitrobenzotrifluoride101646-01-959 % similar 3-Chloro-4-nitrobenzotrifluoride402-11-959 % similar Picryl chloride88-88-059 % similar 2,3-Dichloro-4-methyl-1-nitro-5-(trifluoromethyl)benzene115571-68-159 % similar

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

Same formula

2-Chloro-3,5-dinitrobenzotrifluoride392-95-0

Elsewhere

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