chempirical

5-Chloro-2-nitrobenzotrifluoride

C7H3ClF3NO2CAS 118-83-2225.55 g/mol

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

Properties

Molecular formula
C7H3ClF3NO2
Molar mass
225.55 g/mol
Exact mass
224.9804 Da
Melting point
21–22 °C
Boiling point
1.526 °C
logP
3.27Crippen estimate
Polar surface area
43.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Identifiers

CAS number
118-83-2
SMILES
O=[N+]([O-])c1ccc(Cl)cc1C(F)(F)F
InChIKey
CFPIGEXZPWTNOR-UHFFFAOYSA-N
InChI
InChI=1S/C7H3ClF3NO2/c8-4-1-2-6(12(13)14)5(3-4)7(9,10)11/h1-3H

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Names and synonyms

9 names
  • Benzene, 4-chloro-1-nitro-2-(trifluoromethyl)-
  • Toluene, 5-chloro-α,α,α-trifluoro-2-nitro-
  • 4-Chloro-1-nitro-2-(trifluoromethyl)benzene
  • 4-Chloro-2-(trifluoromethyl)nitrobenzene
  • 5-Chloro-2-nitro(trifluoromethyl)benzene
  • 5-Chloro-2-nitro-1-(trifluoromethyl)benzene
  • 5-Chloro-α,α,α-trifluoro-2-nitrotoluene
  • 2-Nitro-5-chlorobenzotrifluoride
  • 4-Nitro-3-trifluoromethyl-1-chlorobenzene

Work with 5-Chloro-2-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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Same formula

1-Chloro-2-nitro-4-(trifluoromethyl)benzene121-17-5 2-Chloro-1-nitro-3-(trifluoromethyl)benzene39974-35-1 3-Chloro-4-nitrobenzotrifluoride402-11-9 2-Chloro-5-nitrobenzotrifluoride777-37-7

Elsewhere

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