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Home > Indoles and Oxindole > 845619-29-6
845619-29-6 | 1H-Indole-4,7-dione, 2-acetyl-1-(phenylsulfonyl)-
CAS No: 845619-29-6 Catalog No: AG004R8F MDL No:
Product Description
Catalog Number:
AG004R8F
Chemical Name:
1H-Indole-4,7-dione, 2-acetyl-1-(phenylsulfonyl)-
CAS Number:
845619-29-6
Molecular Formula:
C16H11NO5S
Molecular Weight:
329.3272
IUPAC Name:
2-acetyl-1-(benzenesulfonyl)indole-4,7-dione
InChI:
InChI=1S/C16H11NO5S/c1-10(18)13-9-12-14(19)7-8-15(20)16(12)17(13)23(21,22)11-5-3-2-4-6-11/h2-9H,1H3
InChI Key:
BDQZONVQEDDENM-UHFFFAOYSA-N
SMILES:
CC(=O)c1cc2c(n1S(=O)(=O)c1ccccc1)C(=O)C=CC2=O
Properties
Complexity:
669
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
329.036g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
329.326g/mol
Monoisotopic Mass:
329.036g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
98.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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