2,6-Dichloro-4-(trifluoromethyl)benzenesulfonyl chloride

C₇H₂Cl₃F₃O₂SCAS 175205-76-2313.50 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide

Properties

Molecular formula: C₇H₂Cl₃F₃O₂S
Molar mass: 313.50 g/mol
Exact mass: 311.8793 Da
logP: 3.94Crippen estimate
Polar surface area: 34.1 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Identifiers

CAS number

175205-76-2

SMILES

O=S(=O)(Cl)c1c(Cl)cc(C(F)(F)F)cc1Cl

InChIKey

MRGIKDMKHORAMU-UHFFFAOYSA-N

InChI

InChI=1S/C7H2Cl3F3O2S/c8-4-1-3(7(11,12)13)2-5(9)6(4)16(10,14)15/h1-2H

Weigh it out

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

Names and synonyms

4 names

Benzenesulfonyl chloride, 2,6-dichloro-4-(trifluoromethyl)-
2,6-Dichloro-4-trifluoromethylbenzenesulfonyl chloride
2,6-Dichloro-4-(trifluoromethyl)phenylsulfonyl chloride
2,6-Dichloro-4-(trifluoromethyl)benzene-1-sulfonyl chloride

Work with 2,6-Dichloro-4-(trifluoromethyl)benzenesulfonyl chloride

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

3,5-Bis(trifluoromethyl)benzenesulfonyl chloride39234-86-159 % similar 3,4,5-Trichlorobenzotrifluoride50594-82-652 % similar 4-(Trifluoromethyl)benzenesulfonyl chloride2991-42-650 % similar 3,5-Dichloro-4-fluorobenzotrifluoride77227-81-750 % similar 2,5-Bis(trifluoromethyl)benzenesulfonyl chloride351003-22-049 % similar 4-Bromo-3,5-dichlorobenzotrifluoride118754-53-348 % similar 1,3-Dichloro-2-iodo-5-(trifluoromethyl)benzene175205-56-848 % similar 2,6-Dichloro-4-trifluoromethylaniline24279-39-848 % similar

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

Elsewhere

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