chempirical

4-(Benzyloxy)benzene-1-sulfonyl chloride

C13H11ClO3SCAS 87001-32-9282.74 g/mol

Open in Covalent MOL file
OSOOCl
Ether

Properties

Molecular formula
C13H11ClO3S
Molar mass
282.74 g/mol
Exact mass
282.0117 Da
logP
3.19Crippen estimate
Polar surface area
43.4 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
4

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
87001-32-9
SMILES
C1=CC=C(C=C1)COC2=CC=C(C=C2)S(=O)(=O)Cl
InChIKey
BRTDEKQMIKCPKH-UHFFFAOYSA-N
InChI
InChI=1S/C13H11ClO3S/c14-18(15,16)13-8-6-12(7-9-13)17-10-11-4-2-1-3-5-11/h1-9H,10H2

Weigh it out

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

Work with 4-(Benzyloxy)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

4-Phenoxybenzene-1-sulfonyl chloride1623-92-362 % similar Hydroquinone dibenzyl ether621-91-060 % similar 4-Ethoxy-benzenesulfonyl chloride1132-17-858 % similar 4-[[4-(Phenylmethoxy)phenyl]sulfonyl]phenol63134-33-857 % similar Benzenesulfonyl chloride98-09-955 % similar 4,4′-Oxybis[benzenesulfonyl chloride]121-63-155 % similar 4-Benzyloxychlorobenzene7700-27-854 % similar (1,1'-Biphenyl)-4-sulphonyl chloride1623-93-453 % similar

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

Elsewhere

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