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Trichloromethanesulfonyl chloride

CAT: 0127-OR72500-01Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0127-OR72500-01Size:250 mg
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CAS Number
2547-61-7
MDL Number
MFCD00007452
Purity
95%
Smiles
ClC(Cl)(Cl)S(Cl)(=O)=O

Chemical Information

Trichloromethanesulfonyl chloride
CAS Number2547-61-7
PubChem CID75684
IUPAC Nametrichloromethanesulfonyl chloride
Molecular FormulaCCl4O2S
Molecular Weight217.9
XLogP2.3
Topological Polar Surface Area42.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count8
Formal Charge0
Complexity157
SMILES
C(S(=O)(=O)Cl)(Cl)(Cl)Cl
InChI
InChI=1S/CCl4O2S/c2-1(3,4)8(5,6)7
InChIKey
ZCPSWAFANXCCOT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Trichloromethanesulfonyl chloride
CAS: 2547-61-7
CID: 75684
Formula: CCl4O2S
MW: 217.9
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight217.9
XLogP32.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass217.834361
Monoisotopic Mass215.837311
Topological Polar Surface Area42.5 Ų
Heavy Atom Count8
Formal Charge0
Complexity157
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

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sc-237278Trichloromethanesulfonyl chloride
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