2,4-Dichloro-5-methylbenzotrifluoride

C₈H₅Cl₂F₃CAS 115571-61-4229.02 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
logP: 4.32Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 0

Identifiers

CAS number

115571-61-4

SMILES

CC1=CC(=C(C=C1Cl)Cl)C(F)(F)F

InChIKey

IEODOJMCKLXBMU-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Work with 2,4-Dichloro-5-methylbenzotrifluoride

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

2,4,5-Trichlorotoluene6639-30-154 % similar 2,5-Dichloro-P-xylene1124-05-652 % similar 1,4-Dichloro-2-(trifluoromethyl)benzene320-50-347 % similar 2,4-Dichlorobenzotrifluoride320-60-547 % similar 2-Chlorobenzotrifluoride88-16-447 % similar 2,4-Dichloro-5-nitrobenzotrifluoride400-70-446 % similar 1-Chloro-4-fluoro-2-(trifluoromethyl)benzene89634-75-345 % similar 4-Chloro-3-(trifluoromethyl)aniline320-51-444 % similar

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

Same formula

2,3-Dichloro-4-(trifluoromethyl)toluene115571-58-9 1,2-Dichloro-3-methyl-4-(trifluoromethyl)benzene115571-59-0 1-(Dichloromethyl)-2-(trifluoromethyl)benzene707-72-2

Elsewhere

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