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Home > Indoles and Oxindole > 116325-19-0
116325-19-0 | 1H-Indole, 3-nitro-1-(phenylsulfonyl)-
CAS No: 116325-19-0 Catalog No: AG000C7I MDL No:
Product Description
Catalog Number:
AG000C7I
Chemical Name:
1H-Indole, 3-nitro-1-(phenylsulfonyl)-
CAS Number:
116325-19-0
Molecular Formula:
C14H10N2O4S
Molecular Weight:
302.3052
IUPAC Name:
1-(benzenesulfonyl)-3-nitroindole
InChI:
InChI=1S/C14H10N2O4S/c17-16(18)14-10-15(13-9-5-4-8-12(13)14)21(19,20)11-6-2-1-3-7-11/h1-10H
InChI Key:
ONSQTORIEJBGTB-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cn(c2c1cccc2)S(=O)(=O)c1ccccc1
Properties
Complexity:
490
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
302.036g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
302.304g/mol
Monoisotopic Mass:
302.036g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
93.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
Literature
| Title | Journal |
|---|---|
| 4-Phenyl-sulfon-yl-2-(p-tolyl-sulfon-yl)-1H,8H-pyrrolo-[2,3-b]indole. | Acta crystallographica. Section E, Structure reports online 20101101 |
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