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Home > Indoles and Oxindole > 121963-51-7
121963-51-7 | 1-Propanone, 1-[1-(phenylsulfonyl)-1H-indol-2-yl]-
CAS No: 121963-51-7 Catalog No: AG0016H9 MDL No:
Product Description
Catalog Number:
AG0016H9
Chemical Name:
1-Propanone, 1-[1-(phenylsulfonyl)-1H-indol-2-yl]-
CAS Number:
121963-51-7
Molecular Formula:
C17H15NO3S
Molecular Weight:
313.3709
IUPAC Name:
1-[1-(benzenesulfonyl)indol-2-yl]propan-1-one
InChI:
InChI=1S/C17H15NO3S/c1-2-17(19)16-12-13-8-6-7-11-15(13)18(16)22(20,21)14-9-4-3-5-10-14/h3-12H,2H2,1H3
InChI Key:
FXVAXHRMJADBAN-UHFFFAOYSA-N
SMILES:
CCC(=O)c1cc2c(n1S(=O)(=O)c1ccccc1)cccc2
Properties
Complexity:
505
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
313.077g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
313.371g/mol
Monoisotopic Mass:
313.077g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
64.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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