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86688-88-2 | Ethanone,1-[1-(phenylsulfonyl)-1H-pyrrol-2-yl]-
CAS No: 86688-88-2 Catalog No: AG004KLE MDL No:MFCD00067763
Product Description
Catalog Number:
AG004KLE
Chemical Name:
Ethanone,1-[1-(phenylsulfonyl)-1H-pyrrol-2-yl]-
CAS Number:
86688-88-2
Molecular Formula:
C12H11NO3S
Molecular Weight:
249.2856
MDL Number:
MFCD00067763
IUPAC Name:
1-[1-(benzenesulfonyl)pyrrol-2-yl]ethanone
InChI:
InChI=1S/C12H11NO3S/c1-10(14)12-8-5-9-13(12)17(15,16)11-6-3-2-4-7-11/h2-9H,1H3
InChI Key:
HJDMXZKPGSYRAE-UHFFFAOYSA-N
SMILES:
CC(=O)c1cccn1S(=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:
1.9
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 |
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