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

C₈H₅Cl₂F₃CAS 115571-59-0229.02 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide

Properties

Molecular formula: C₈H₅Cl₂F₃
Molar mass: 229.02 g/mol
Exact mass: 227.9720 Da
Boiling point: 108–110 °C (at 35 Torr)
logP: 4.32Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 0

Identifiers

CAS number

115571-59-0

SMILES

Cc1c(C(F)(F)F)ccc(Cl)c1Cl

InChIKey

DKEPZNANVYCVOF-UHFFFAOYSA-N

InChI

InChI=1S/C8H5Cl2F3/c1-4-5(8(11,12)13)2-3-6(9)7(4)10/h2-3H,1H3

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

Names and synonyms

2 names

Benzene, 1,2-dichloro-3-methyl-4-(trifluoromethyl)-
2,3-Dichloro-6-(trifluoromethyl)toluene

Work with 1,2-Dichloro-3-methyl-4-(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

2,3,6-Trichlorotoluene2077-46-557 % similar 1,2-Dichloro-3-(trifluoromethyl)benzene54773-19-255 % similar 2-Methyl-3-(trifluoromethyl)aniline54396-44-048 % similar 3,4-Dichloro-2-nitro-6-(trifluoromethyl)toluene115571-66-944 % similar 1,4-Dichloro-2-(trifluoromethyl)benzene320-50-344 % similar 2,4-Dichlorobenzotrifluoride320-60-544 % similar 2-Chlorobenzotrifluoride88-16-444 % similar 2,3-Dichloro-4-methyl-1-nitro-5-(trifluoromethyl)benzene115571-68-143 % similar

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

Same formula

2,3-Dichloro-4-(trifluoromethyl)toluene115571-58-9 2,4-Dichloro-5-methylbenzotrifluoride115571-61-4 1-(Dichloromethyl)-2-(trifluoromethyl)benzene707-72-2

Elsewhere

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