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Home Halogens 2,2,2-Trichloroethyl sulfamate

2,2,2-Trichloroethyl sulfamate

CAS No.:
69226-51-3
Catalog Number:
AG003F6V
Molecular Formula:
C2H4Cl3NO3S
Molecular Weight:
228.4821
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$63
- +
5g
95%
In Stock USA
United States
$224
- +
10g
95%
In Stock USA
United States
$397
- +
Product Description
Catalog Number:
AG003F6V
Chemical Name:
2,2,2-Trichloroethyl sulfamate
CAS Number:
69226-51-3
Molecular Formula:
C2H4Cl3NO3S
Molecular Weight:
228.4821
MDL Number:
MFCD01683146
IUPAC Name:
2,2,2-trichloroethyl sulfamate
InChI:
InChI=1S/C2H4Cl3NO3S/c3-2(4,5)1-9-10(6,7)8/h1H2,(H2,6,7,8)
InChI Key:
VOKONKGVTXWZJI-UHFFFAOYSA-N
SMILES:
ClC(COS(=O)(=O)N)(Cl)Cl
Properties
Complexity:
189  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.898g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
228.468g/mol
Monoisotopic Mass:
226.898g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
77.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  
Literature
Title Journal
The mechanism of the irreversible inhibition of estrone sulfatase (ES) through the consideration of a range of methane- and amino-sulfonate-based compounds. Bioorganic & medicinal chemistry letters 20020506
Properties