Name: Name:2,2,2-Trichloroethyl chlorosulfate
Brand: Angene
SKU: AG0036P3
Rating: 90 (10 reviews)

2,2,2-Trichloroethyl chlorosulfate

CAS No.:

764-09-0

Catalog Number:

AG0036P3

Molecular Formula:

C2H2Cl4O3S

Molecular Weight:

247.9125

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Product Description

Catalog Number:

AG0036P3

Chemical Name:

2,2,2-Trichloroethyl chlorosulfate

CAS Number:

764-09-0

Molecular Formula:

C2H2Cl4O3S

Molecular Weight:

247.9125

MDL Number:

MFCD19200066

IUPAC Name:

1,1,1-trichloro-2-chlorosulfonyloxyethane

InChI:

InChI=1S/C2H2Cl4O3S/c3-2(4,5)1-9-10(6,7)8/h1H2

InChI Key:

MFQWRQASGSRKAJ-UHFFFAOYSA-N

SMILES:

ClC(COS(=O)(=O)Cl)(Cl)Cl

Properties

Complexity:

186

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

247.845g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

247.895g/mol

Monoisotopic Mass:

245.848g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

51.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.3

Literature

Title	Journal
An efficient approach to sulfate metabolites of polychlorinated biphenyls.	Environment international 20101101
Electron ionization mass spectral fragmentation study of sulfation derivatives of polychlorinated biphenyls.	Chemistry Central journal 20090101