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292855-52-8 | Ethanone, 1-(1H-indol-3-yl)-2-(phenylsulfonyl)-
CAS No: 292855-52-8 Catalog No: AG002XYQ MDL No:
Product Description
Catalog Number:
AG002XYQ
Chemical Name:
Ethanone, 1-(1H-indol-3-yl)-2-(phenylsulfonyl)-
CAS Number:
292855-52-8
Molecular Formula:
C16H13NO3S
Molecular Weight:
299.3443
IUPAC Name:
2-(benzenesulfonyl)-1-(1H-indol-3-yl)ethanone
InChI:
InChI=1S/C16H13NO3S/c18-16(11-21(19,20)12-6-2-1-3-7-12)14-10-17-15-9-5-4-8-13(14)15/h1-10,17H,11H2
InChI Key:
VDDHHPXSHNAKNC-UHFFFAOYSA-N
SMILES:
O=C(c1c[nH]c2c1cccc2)CS(=O)(=O)c1ccccc1
Properties
Complexity:
476
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
299.062g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
299.344g/mol
Monoisotopic Mass:
299.062g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
75.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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