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175135-41-8 | Ethanone, 1-[1-[(4-chlorophenyl)sulfonyl]-1H-pyrrol-3-yl]-
CAS No: 175135-41-8 Catalog No: AG00206N MDL No:MFCD00067754
Product Description
Catalog Number:
AG00206N
Chemical Name:
Ethanone, 1-[1-[(4-chlorophenyl)sulfonyl]-1H-pyrrol-3-yl]-
CAS Number:
175135-41-8
Molecular Formula:
C12H10ClNO3S
Molecular Weight:
283.7307
MDL Number:
MFCD00067754
IUPAC Name:
1-[1-(4-chlorophenyl)sulfonylpyrrol-3-yl]ethanone
InChI:
InChI=1S/C12H10ClNO3S/c1-9(15)10-6-7-14(8-10)18(16,17)12-4-2-11(13)3-5-12/h2-8H,1H3
InChI Key:
YITRXRFSEINDLY-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)S(=O)(=O)n1ccc(c1)C(=O)C
Properties
Complexity:
410
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.007g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
283.726g/mol
Monoisotopic Mass:
283.007g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
64.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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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