2-Chloro-1-nitro-3-(trifluoromethyl)benzene

C7H3ClF3NO2CAS 39974-35-1225.55 g/mol

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ON+O−FFFCl
Alkyl halideAryl halideNitro

Properties

Molecular formula
C7H3ClF3NO2
Molar mass
225.55 g/mol
Exact mass
224.9804 Da
logP
3.27Crippen estimate
Polar surface area
43.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
39974-35-1
SMILES
O=[N+]([O-])c1cccc(C(F)(F)F)c1Cl
InChIKey
TWABRHQBRWLSSE-UHFFFAOYSA-N
InChI
InChI=1S/C7H3ClF3NO2/c8-6-4(7(9,10)11)2-1-3-5(6)12(13)14/h1-3H

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Names and synonyms

3 names
  • Benzene, 2-chloro-1-nitro-3-(trifluoromethyl)-
  • 1-Chloro-2-nitro-6-(trifluoromethyl)benzene
  • 2-Nitro-6-(trifluoromethyl)chlorobenzene

Work with 2-Chloro-1-nitro-3-(trifluoromethyl)benzene

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-Nitro-alpha,alpha,alpha-trifluorotoluene384-22-570 % similar 2-Fluoro-3-nitrobenzotrifluoride61324-97-867 % similar Alpha,alpha,alpha-Trifluoro-3-nitro-o-xylene6656-49-165 % similar 2-Chloro-1,3-dinitrobenzene606-21-365 % similar 2-Chloro-3,5-dinitrobenzotrifluoride392-95-063 % similar 2,4-Dichloro-3,5-dinitrobenzotrifluoride29091-09-659 % similar 2-Chloro-1-fluoro-3-nitrobenzene21397-07-958 % similar 2,3-Dichloronitrobenzene3209-22-157 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

5-Chloro-2-nitrobenzotrifluoride118-83-2 4-Chloro-alpha,alpha,alpha-trifluoro-3-nitrotoluene121-17-5 2-Chloro-4-nitrobenzotrifluoride151504-80-2 2-Chloro-6-trifluoromethylnicotinic acid280566-45-2 3-Chloro-5-nitrobenzotrifluoride401-93-4 3-Chloro-4-nitrobenzotrifluoride402-11-9 2-Chloro-5-(trifluoromethyl)nicotinic acid505084-59-3 2-Chloro-5-nitrobenzotrifluoride777-37-7

Elsewhere

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