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Home Sulfos 3-Acetyl-1-(phenylsulfonyl)pyrrole

3-Acetyl-1-(phenylsulfonyl)pyrrole

CAS No.:
81453-98-7
Catalog Number:
AG0052C0
Molecular Formula:
C12H11NO3S
Molecular Weight:
249.2856
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$100
- +
5g
98%
In Stock USA
United States
$400
- +
Product Description
Catalog Number:
AG0052C0
Chemical Name:
3-Acetyl-1-(phenylsulfonyl)pyrrole
CAS Number:
81453-98-7
Molecular Formula:
C12H11NO3S
Molecular Weight:
249.2856
MDL Number:
MFCD00067752
IUPAC Name:
1-[1-(benzenesulfonyl)pyrrol-3-yl]ethanone
InChI:
InChI=1S/C12H11NO3S/c1-10(14)11-7-8-13(9-11)17(15,16)12-5-3-2-4-6-12/h2-9H,1H3
InChI Key:
HTMLKRFQINMFRA-UHFFFAOYSA-N
SMILES:
CC(=O)c1ccn(c1)S(=O)(=O)c1ccccc1
Properties
Complexity:
379  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.046g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
249.284g/mol
Monoisotopic Mass:
249.046g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
64.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Literature
Title Journal
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Properties