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Home > Indoles and Oxindole > 877470-41-2
877470-41-2 | 1H-Indole, 3-[(1E)-2-(4-nitrophenyl)ethenyl]-1-(phenylsulfonyl)-
CAS No: 877470-41-2 Catalog No: AG004IMN MDL No:
Product Description
Catalog Number:
AG004IMN
Chemical Name:
1H-Indole, 3-[(1E)-2-(4-nitrophenyl)ethenyl]-1-(phenylsulfonyl)-
CAS Number:
877470-41-2
Molecular Formula:
C22H16N2O4S
Molecular Weight:
404.4384
IUPAC Name:
1-(benzenesulfonyl)-3-[2-(4-nitrophenyl)ethenyl]indole
InChI:
InChI=1S/C22H16N2O4S/c25-24(26)19-14-11-17(12-15-19)10-13-18-16-23(22-9-5-4-8-21(18)22)29(27,28)20-6-2-1-3-7-20/h1-16H
InChI Key:
PLTMLQZTJHZQTQ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)/C=C/c1cn(c2c1cccc2)S(=O)(=O)c1ccccc1
Properties
Complexity:
697
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
404.083g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
404.44g/mol
Monoisotopic Mass:
404.083g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
93.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
5.3
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