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Home > Indoles and Oxindole > 205393-59-5
205393-59-5 | 1H-Indole-4,7-dione, 1-(phenylsulfonyl)-
CAS No: 205393-59-5 Catalog No: AG002A26 MDL No:
Product Description
Catalog Number:
AG002A26
Chemical Name:
1H-Indole-4,7-dione, 1-(phenylsulfonyl)-
CAS Number:
205393-59-5
Molecular Formula:
C14H9NO4S
Molecular Weight:
287.2906
IUPAC Name:
1-(benzenesulfonyl)indole-4,7-dione
InChI:
InChI=1S/C14H9NO4S/c16-12-6-7-13(17)14-11(12)8-9-15(14)20(18,19)10-4-2-1-3-5-10/h1-9H
InChI Key:
SKIZYHOMDVLKFS-UHFFFAOYSA-N
SMILES:
O=C1C=CC(=O)c2c1n(cc2)S(=O)(=O)c1ccccc1
Properties
Complexity:
554
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
287.025g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
287.289g/mol
Monoisotopic Mass:
287.025g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
81.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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