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Home > Indoles and Oxindole > 893737-62-7
893737-62-7 | 5-[4-(Methylsulfonyl)phenyl]-1H-indole-2,3-dione
CAS No: 893737-62-7 Catalog No: AG01EYO9 MDL No:
Product Description
Catalog Number:
AG01EYO9
Chemical Name:
5-[4-(Methylsulfonyl)phenyl]-1H-indole-2,3-dione
CAS Number:
893737-62-7
Molecular Formula:
C15H11NO4S
Molecular Weight:
301.3171
IUPAC Name:
5-(4-methylsulfonylphenyl)-1H-indole-2,3-dione
InChI:
InChI=1S/C15H11NO4S/c1-21(19,20)11-5-2-9(3-6-11)10-4-7-13-12(8-10)14(17)15(18)16-13/h2-8H,1H3,(H,16,17,18)
InChI Key:
AJOAKRQXHCGFOF-UHFFFAOYSA-N
SMILES:
O=C1C(=O)Nc2c1cc(cc2)c1ccc(cc1)S(=O)(=O)C
Properties
Complexity:
543
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:
1
Isotope Atom Count:
0
Molecular Weight:
301.316g/mol
Monoisotopic Mass:
301.041g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
88.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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