2,3-Dichloro-4-(trifluoromethyl)toluene

C8H5Cl2F3CAS 115571-58-9229.02 g/mol

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FFFClCl
Alkyl halideAryl halide

Properties

Molecular formula
C8H5Cl2F3
Molar mass
229.02 g/mol
Exact mass
227.9720 Da
logP
4.32Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

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
115571-58-9
SMILES
CC1=C(C(=C(C=C1)C(F)(F)F)Cl)Cl
InChIKey
NSMXZYCKOJMQON-UHFFFAOYSA-N
InChI
InChI=1S/C8H5Cl2F3/c1-4-2-3-5(8(11,12)13)7(10)6(4)9/h2-3H,1H3

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Names and synonyms

1 names
  • 2,3-Dichloro-1-methyl-4-(trifluoromethyl)benzene

Work with 2,3-Dichloro-4-(trifluoromethyl)toluene

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

1,2-Dichloro-3-(trifluoromethyl)benzene54773-19-248 % similar 1-Bromo-2-chloro-3-(trifluoromethyl)benzene56131-47-647 % similar 1-Methyl-2-(trifluoromethyl)benzene13630-19-847 % similar 2-Chloro-3-(trifluoromethyl)phenol138377-34-145 % similar 2-Chloro-3-(trifluoromethyl)aniline62476-58-845 % similar 2-Chloro-4-methylbenzotrifluoride74483-46-845 % similar 4-Fluoro-2-methyl-1-(trifluoromethyl)benzene80245-26-745 % similar 2-Chloro-1,3-dimethylbenzene6781-98-244 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1,2-Dichloro-3-methyl-4-(trifluoromethyl)benzene115571-59-0 2,4-Dichloro-5-methylbenzotrifluoride115571-61-4 1-(Dichloromethyl)-2-(trifluoromethyl)benzene707-72-2 1,2-Dichloro-4-methyl-5-(trifluoromethyl)benzene74483-51-5 1-(Dichloromethyl)-4-(trifluoromethyl)benzene82510-98-3

Elsewhere

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