chempirical

2,4-Dichloro-5-nitrobenzotrifluoride

C7H2Cl2F3NO2CAS 400-70-4259.99 g/mol

Open in Covalent MOL file
ON+O−FFFClCl
Alkyl halideAryl halideNitro

Properties

Molecular formula
C7H2Cl2F3NO2
Molar mass
259.99 g/mol
Exact mass
258.9415 Da
Melting point
53–54 °C
logP
3.92Crippen estimate
Polar surface area
43.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Identifiers

CAS number
400-70-4
SMILES
O=[N+]([O-])c1cc(C(F)(F)F)c(Cl)cc1Cl
InChIKey
VLVNHMVSVDVAOA-UHFFFAOYSA-N
InChI
InChI=1S/C7H2Cl2F3NO2/c8-4-2-5(9)6(13(14)15)1-3(4)7(10,11)12/h1-2H

Weigh it out

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

Names and synonyms

7 names
  • Benzene, 1,5-dichloro-2-nitro-4-(trifluoromethyl)-
  • Toluene, 2,4-dichloro-α,α,α-trifluoro-5-nitro-
  • 1,5-Dichloro-2-nitro-4-(trifluoromethyl)benzene
  • 2,4-Dichloro-5-nitro-1-(trifluoromethyl)benzene
  • 3-Nitro-4,6-dichlorobenzotrifluoride
  • 2,4-Dichloro-5-(trifluoromethyl)nitrobenzene
  • 3-Trifluoromethyl-4,6-dichloronitrobenzene

Work with 2,4-Dichloro-5-nitrobenzotrifluoride

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

1,3-Dichloro-4,6-dinitrobenzene3698-83-765 % similar 2,4,5-Trichloronitrobenzene89-69-063 % similar 1-Chloro-2-nitro-4-(trifluoromethyl)benzene121-17-561 % similar 3-Chloro-4-nitrobenzotrifluoride402-11-961 % similar 2-Chloro-5-nitrobenzotrifluoride777-37-761 % similar 2,4-Dichloro-3,5-dinitrobenzotrifluoride29091-09-659 % similar 5-Chloro-2-nitrobenzotrifluoride118-83-256 % similar 2,3-Dichloro-4-trifluoromethyl-6-nitrotoluene115571-67-056 % similar

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

Elsewhere

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