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2,2-Diphenylethanesulfonyl chloride

CAT: 0024-sc-288346Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-288346Size:100 mg
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CAS Number
71351-01-4

Chemical Information

2,2-Diphenylethanesulphonyl chloride
CAS Number71351-01-4
PubChem CID3806087
IUPAC Name2,2-diphenylethanesulfonyl chloride
Molecular FormulaC14H13ClO2S
Molecular Weight280.8
XLogP3.8
Topological Polar Surface Area42.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Heavy Atom Count18
Formal Charge0
Complexity317
SMILES
C1=CC=C(C=C1)C(CS(=O)(=O)Cl)C2=CC=CC=C2
InChI
InChI=1S/C14H13ClO2S/c15-18(16,17)11-14(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,14H,11H2
InChIKey
DYESDWUOAPVIIV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,2-Diphenylethanesulphonyl chloride
CAS: 71351-01-4
CID: 3806087
Formula: C14H13ClO2S
MW: 280.8
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight280.8
XLogP33.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Exact Mass280.0324785
Monoisotopic Mass280.0324785
Topological Polar Surface Area42.5 Ų
Heavy Atom Count18
Formal Charge0
Complexity317
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes