chempirical

2-(Trifluoromethoxy)benzene-1-sulfonyl chloride

C7H4ClF3O3SCAS 103008-51-1260.61 g/mol

Open in Covalent MOL file
OFFFSOOCl
Alkyl halideEther

Properties

Molecular formula
C7H4ClF3O3S
Molar mass
260.61 g/mol
Exact mass
259.9522 Da
logP
2.51Crippen estimate
Polar surface area
43.4 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
2

Identifiers

CAS number
103008-51-1
SMILES
C1=CC=C(C(=C1)OC(F)(F)F)S(=O)(=O)Cl
InChIKey
JLTBWYIUMFEOTN-UHFFFAOYSA-N
InChI
InChI=1S/C7H4ClF3O3S/c8-15(12,13)6-4-2-1-3-5(6)14-7(9,10)11/h1-4H

Weigh it out

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

Work with 2-(Trifluoromethoxy)benzene-1-sulfonyl 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

2-(Trifluoromethoxy)benzenesulfonamide37526-59-361 % similar 2-Methoxybenzenesulfonyl chloride10130-87-757 % similar 2-(Trifluoromethoxy)benzenesulfonyl isocyanate99722-81-354 % similar 2-(Trifluoromethyl)benzenesulfonyl chloride776-04-553 % similar 2-Chlorobenzenesulfonyl chloride2905-23-946 % similar 2-Methylbenzenesulfonyl chloride133-59-544 % similar 2-Trifluoromethoxyaniline1535-75-744 % similar 1-Iodo-2-(trifluoromethoxy)benzene175278-00-944 % similar

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

Same formula

4-(Trifluoromethoxy)benzenesulfonyl chloride94108-56-2

Elsewhere

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