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Home > Indoles and Oxindole > 88207-42-5
88207-42-5 | 1H-Indole, 2-(2-nitrophenyl)-1-(phenylsulfonyl)-
CAS No: 88207-42-5 Catalog No: AG004DW9 MDL No:
Product Description
Catalog Number:
AG004DW9
Chemical Name:
1H-Indole, 2-(2-nitrophenyl)-1-(phenylsulfonyl)-
CAS Number:
88207-42-5
Molecular Formula:
C20H14N2O4S
Molecular Weight:
378.4012
IUPAC Name:
1-(benzenesulfonyl)-2-(2-nitrophenyl)indole
InChI:
InChI=1S/C20H14N2O4S/c23-22(24)19-13-7-5-11-17(19)20-14-15-8-4-6-12-18(15)21(20)27(25,26)16-9-2-1-3-10-16/h1-14H
InChI Key:
XCNGLUNTOGJIJD-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccccc1c1cc2c(n1S(=O)(=O)c1ccccc1)cccc2
Properties
Complexity:
635
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
378.067g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
378.402g/mol
Monoisotopic Mass:
378.067g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
93.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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