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Home > Indoles and Oxindole > 163193-56-4
163193-56-4 | 1H-Indole-4,7-dione, 1-[(4-methylphenyl)sulfonyl]-
CAS No: 163193-56-4 Catalog No: AG001TUN MDL No:
Product Description
Catalog Number:
AG001TUN
Chemical Name:
1H-Indole-4,7-dione, 1-[(4-methylphenyl)sulfonyl]-
CAS Number:
163193-56-4
Molecular Formula:
C15H11NO4S
Molecular Weight:
301.3171
IUPAC Name:
1-(4-methylphenyl)sulfonylindole-4,7-dione
InChI:
InChI=1S/C15H11NO4S/c1-10-2-4-11(5-3-10)21(19,20)16-9-8-12-13(17)6-7-14(18)15(12)16/h2-9H,1H3
InChI Key:
QDEBOTKJWAFUKE-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)n1ccc2c1C(=O)C=CC2=O
Properties
Complexity:
581
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
301.041g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
301.316g/mol
Monoisotopic Mass:
301.041g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
81.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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