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Home > Indoles and Oxindole > 114650-12-3
114650-12-3 | 1H-Indole, 2-phenyl-1-(phenylsulfonyl)-
CAS No: 114650-12-3 Catalog No: AG000EXY MDL No:
Product Description
Catalog Number:
AG000EXY
Chemical Name:
1H-Indole, 2-phenyl-1-(phenylsulfonyl)-
CAS Number:
114650-12-3
Molecular Formula:
C20H15NO2S
Molecular Weight:
333.4036
IUPAC Name:
1-(benzenesulfonyl)-2-phenylindole
InChI:
InChI=1S/C20H15NO2S/c22-24(23,18-12-5-2-6-13-18)21-19-14-8-7-11-17(19)15-20(21)16-9-3-1-4-10-16/h1-15H
InChI Key:
RPWWRRBIEXNMGX-UHFFFAOYSA-N
SMILES:
O=S(=O)(n1c(cc2c1cccc2)c1ccccc1)c1ccccc1
Properties
Complexity:
514
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
333.082g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
333.405g/mol
Monoisotopic Mass:
333.082g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
47.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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