chempirical

2-Chloro-3,5-dinitrobenzotrifluoride

C7H2ClF3N2O4CAS 392-95-0270.55 g/mol

Open in Covalent MOL file
ON+O−N+OO−ClFFF
Alkyl halideAryl halideNitro

Properties

Molecular formula
C7H2ClF3N2O4
Molar mass
270.55 g/mol
Exact mass
269.9655 Da
Melting point
57–59 °C
logP
3.18Crippen estimate
Polar surface area
86.3 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
2

Identifiers

CAS number
392-95-0
SMILES
O=[N+]([O-])c1cc([N+](=O)[O-])c(Cl)c(C(F)(F)F)c1
InChIKey
RLXKADBMLQPLDV-UHFFFAOYSA-N
InChI
InChI=1S/C7H2ClF3N2O4/c8-6-4(7(9,10)11)1-3(12(14)15)2-5(6)13(16)17/h1-2H

Weigh it out

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

Names and synonyms

6 names
  • Benzene, 2-chloro-1,5-dinitro-3-(trifluoromethyl)-
  • Toluene, 2-chloro-α,α,α-trifluoro-3,5-dinitro-
  • 2-Chloro-1,5-dinitro-3-(trifluoromethyl)benzene
  • 2-Chloro-3,5-dinitro-α,α,α-trifluorotoluene
  • 2-Chloro-α,α,α-trifluoro-3,5-dinitrotoluene
  • 1-Chloro-2,4-dinitro-6-(trifluoromethyl)benzene

Work with 2-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

2,4-Dichloro-3,5-dinitrobenzotrifluoride29091-09-668 % similar Picryl chloride88-88-067 % similar 2-Chloro-1-nitro-3-(trifluoromethyl)benzene39974-35-163 % similar 2,3-Dichloro-4-trifluoromethyl-6-nitrotoluene115571-67-061 % similar 2,3-Dichloro-4-methyl-1-nitro-5-(trifluoromethyl)benzene115571-68-161 % similar 2-Chloro-5-nitrobenzotrifluoride777-37-757 % similar 2-Chloro-4-nitro-6-(trifluoromethyl)benzenamine400-67-957 % similar 2,4-Dichloro-5-nitrobenzotrifluoride400-70-455 % similar

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

Same formula

4-Chloro-3,5-dinitrobenzotrifluoride393-75-9

Elsewhere

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