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

C₈H₅Cl₂F₃CAS 115571-58-9229.02 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

115571-58-9

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

Weigh it out

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

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-1,3-dimethylbenzene6781-98-244 % similar 2,4-Dichloro-1-methyl-3-nitro-5-(trifluoromethyl)benzene115571-69-241 % similar 2,3-Dichlorotoluene32768-54-039 % similar 2-Chloro-1-nitro-3-(trifluoromethyl)benzene39974-35-138 % similar 2-Bromo-1,3-dichloro-4-methylbenzene206559-41-338 % 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

Elsewhere

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