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Home > Indoles and Oxindole > 113685-33-9
113685-33-9 | Ethanone, 1-[2-methyl-1-(phenylsulfonyl)-1H-indol-3-yl]-
CAS No: 113685-33-9 Catalog No: AG0009BX MDL No:
Product Description
Catalog Number:
AG0009BX
Chemical Name:
Ethanone, 1-[2-methyl-1-(phenylsulfonyl)-1H-indol-3-yl]-
CAS Number:
113685-33-9
Molecular Formula:
C17H15NO3S
Molecular Weight:
313.3709
IUPAC Name:
1-[1-(benzenesulfonyl)-2-methylindol-3-yl]ethanone
InChI:
InChI=1S/C17H15NO3S/c1-12-17(13(2)19)15-10-6-7-11-16(15)18(12)22(20,21)14-8-4-3-5-9-14/h3-11H,1-2H3
InChI Key:
YYVXMNOFNMFPMZ-UHFFFAOYSA-N
SMILES:
CC(=O)c1c2ccccc2n(c1C)S(=O)(=O)c1ccccc1
Properties
Complexity:
519
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:
3
Topological Polar Surface Area:
64.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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