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Home > Indoles and Oxindole > 102210-76-4
102210-76-4 | 2-Buten-1-one, 3-methyl-1-[1-(phenylsulfonyl)-1H-indol-2-yl]-
CAS No: 102210-76-4 Catalog No: AG0006YA MDL No:
Product Description
Catalog Number:
AG0006YA
Chemical Name:
2-Buten-1-one, 3-methyl-1-[1-(phenylsulfonyl)-1H-indol-2-yl]-
CAS Number:
102210-76-4
Molecular Formula:
C19H17NO3S
Molecular Weight:
339.4082
IUPAC Name:
1-[1-(benzenesulfonyl)indol-2-yl]-3-methylbut-2-en-1-one
InChI:
InChI=1S/C19H17NO3S/c1-14(2)12-19(21)18-13-15-8-6-7-11-17(15)20(18)24(22,23)16-9-4-3-5-10-16/h3-13H,1-2H3
InChI Key:
GMENFGDPWMFUAV-UHFFFAOYSA-N
SMILES:
CC(=CC(=O)c1cc2c(n1S(=O)(=O)c1ccccc1)cccc2)C
Properties
Complexity:
595
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
339.093g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
339.409g/mol
Monoisotopic Mass:
339.093g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
64.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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