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Home > Indoles and Oxindole > 922139-25-1
922139-25-1 | 1H-Indole, 1-methyl-3-[2-(phenylsulfonyl)-2-propen-1-yl]-
CAS No: 922139-25-1 Catalog No: AG0062FB MDL No:
Product Description
Catalog Number:
AG0062FB
Chemical Name:
1H-Indole, 1-methyl-3-[2-(phenylsulfonyl)-2-propen-1-yl]-
CAS Number:
922139-25-1
Molecular Formula:
C18H17NO2S
Molecular Weight:
311.3981
IUPAC Name:
3-[2-(benzenesulfonyl)prop-2-enyl]-1-methylindole
InChI:
InChI=1S/C18H17NO2S/c1-14(22(20,21)16-8-4-3-5-9-16)12-15-13-19(2)18-11-7-6-10-17(15)18/h3-11,13H,1,12H2,2H3
InChI Key:
NAMCKSCLSVABGB-UHFFFAOYSA-N
SMILES:
Cn1cc(c2c1cccc2)CC(=C)S(=O)(=O)c1ccccc1
Properties
Complexity:
502
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
311.098g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
311.399g/mol
Monoisotopic Mass:
311.098g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
47.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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