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Home > Indoles and Oxindole > 112122-41-5
112122-41-5 | 1H-Indole, 2-methyl-3-(1-phenylethenyl)-1-(phenylsulfonyl)-
CAS No: 112122-41-5 Catalog No: AG0083EU MDL No:
Product Description
Catalog Number:
AG0083EU
Chemical Name:
1H-Indole, 2-methyl-3-(1-phenylethenyl)-1-(phenylsulfonyl)-
CAS Number:
112122-41-5
Molecular Formula:
C23H19NO2S
Molecular Weight:
373.4675
IUPAC Name:
1-(benzenesulfonyl)-2-methyl-3-(1-phenylethenyl)indole
InChI:
InChI=1S/C23H19NO2S/c1-17(19-11-5-3-6-12-19)23-18(2)24(22-16-10-9-15-21(22)23)27(25,26)20-13-7-4-8-14-20/h3-16H,1H2,2H3
InChI Key:
PVMJLESRLVSSDY-UHFFFAOYSA-N
SMILES:
C=C(c1c2ccccc2n(c1C)S(=O)(=O)c1ccccc1)c1ccccc1
Properties
Complexity:
625
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
373.114g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
373.47g/mol
Monoisotopic Mass:
373.114g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
47.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.3
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