chempirical

2-Chloro-4-nitro-6-(trifluoromethyl)benzenamine

C7H4ClF3N2O2CAS 400-67-9240.57 g/mol

Open in Covalent MOL file
H2NClN+OO−FFF
Alkyl halideAryl halideNitroPrimary amine

Properties

Molecular formula
C7H4ClF3N2O2
Molar mass
240.57 g/mol
Exact mass
239.9913 Da
Melting point
115–116 °C
logP
2.85Crippen estimate
Polar surface area
69.2 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1

Identifiers

CAS number
400-67-9
SMILES
Nc1c(Cl)cc([N+](=O)[O-])cc1C(F)(F)F
InChIKey
MFJODFSUXHFZJR-UHFFFAOYSA-N
InChI
InChI=1S/C7H4ClF3N2O2/c8-5-2-3(13(14)15)1-4(6(5)12)7(9,10)11/h1-2H,12H2

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

Names and synonyms

5 names
  • Benzenamine, 2-chloro-4-nitro-6-(trifluoromethyl)-
  • o-Toluidine, 6-chloro-α,α,α-trifluoro-4-nitro-
  • 2-Chloro-4-nitro-6-trifluoromethylphenylamine
  • 2-Chloro-4-nitro-6-trifluoromethylaniline
  • 2-Amino-3-chloro-5-nitrobenzotrifluoride

Work with 2-Chloro-4-nitro-6-(trifluoromethyl)benzenamine

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

2,6-Dichloro-4-nitroaniline99-30-969 % similar 2-Chloro-5-nitrobenzotrifluoride777-37-763 % similar 6-Chloro-2,4-dinitroaniline3531-19-962 % similar 2-Bromo-6-chloro-4-nitroaniline99-29-660 % similar 2-Chloro-6-methyl-4-nitrobenzenamine69951-02-659 % similar 2-Chloro-3,5-dinitrobenzotrifluoride392-95-057 % similar 4-Nitro-2-(trifluoromethyl)aniline121-01-755 % similar 2-Amino-3-chloro-5-nitrobenzonitrile20352-84-555 % similar

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

Elsewhere

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