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Home > Indoles and Oxindole > 167172-14-7
167172-14-7 | 1H-Indole, 1-(phenylsulfonyl)-3-(2-propen-1-yl)-
CAS No: 167172-14-7 Catalog No: AG001X6E MDL No:
Product Description
Catalog Number:
AG001X6E
Chemical Name:
1H-Indole, 1-(phenylsulfonyl)-3-(2-propen-1-yl)-
CAS Number:
167172-14-7
Molecular Formula:
C17H15NO2S
Molecular Weight:
297.3715
IUPAC Name:
1-(benzenesulfonyl)-3-prop-2-enylindole
InChI:
InChI=1S/C17H15NO2S/c1-2-8-14-13-18(17-12-7-6-11-16(14)17)21(19,20)15-9-4-3-5-10-15/h2-7,9-13H,1,8H2
InChI Key:
RBCVJNJUIFOGRM-UHFFFAOYSA-N
SMILES:
C=CCc1cn(c2c1cccc2)S(=O)(=O)c1ccccc1
Properties
Complexity:
462
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
297.082g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
297.372g/mol
Monoisotopic Mass:
297.082g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
47.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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