chempirical

4-Bromo-2-(trifluoromethoxy)benzene-1-sulfonyl chloride

C7H3BrClF3O3SCAS 175278-14-5339.51 g/mol

Open in Covalent MOL file
BrOFFFSOOCl
Alkyl halideAryl halideEther

Properties

Molecular formula
C7H3BrClF3O3S
Molar mass
339.51 g/mol
Exact mass
337.8627 Da
logP
3.28Crippen estimate
Polar surface area
43.4 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
2

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
175278-14-5
SMILES
C1=CC(=C(C=C1Br)OC(F)(F)F)S(=O)(=O)Cl
InChIKey
ZZCIRIWJHAZTIW-UHFFFAOYSA-N
InChI
InChI=1S/C7H3BrClF3O3S/c8-4-1-2-6(16(9,13)14)5(3-4)15-7(10,11)12/h1-3H

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Work with 4-Bromo-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)benzene-1-sulfonyl chloride103008-51-162 % similar 4-Bromo-2-(trifluoromethyl)benzenesulfonyl chloride176225-10-859 % similar 4-Bromo-2-chlorobenzenesulfonyl chloride351003-52-656 % similar 4-Bromo-2-fluorobenzene-1-sulfonyl chloride216159-03-455 % similar 2,4-Dibromobenzenesulfonyl chloride72256-95-254 % similar 4-Bromo-2-methylbenzene-1-sulfonyl chloride139937-37-451 % similar 4-Bromo-2-(trifluoromethoxy)aniline175278-09-851 % similar 4-Bromo-2-(trifluoromethoxy)iodobenzene175278-12-351 % similar

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

Elsewhere

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