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Home > Indoles and Oxindole > 116325-48-5
116325-48-5 | 1H-Indole, 2,3-dimethyl-1-(phenylsulfonyl)-
CAS No: 116325-48-5 Catalog No: AG000C7H MDL No:MFCD08051489
Product Description
Catalog Number:
AG000C7H
Chemical Name:
1H-Indole, 2,3-dimethyl-1-(phenylsulfonyl)-
CAS Number:
116325-48-5
Molecular Formula:
C16H15NO2S
Molecular Weight:
285.3608
MDL Number:
MFCD08051489
IUPAC Name:
1-(benzenesulfonyl)-2,3-dimethylindole
InChI:
InChI=1S/C16H15NO2S/c1-12-13(2)17(16-11-7-6-10-15(12)16)20(18,19)14-8-4-3-5-9-14/h3-11H,1-2H3
InChI Key:
NSLVZBMKOXAWIY-UHFFFAOYSA-N
SMILES:
Cc1c2ccccc2n(c1C)S(=O)(=O)c1ccccc1
NSC Number:
89260
Properties
Complexity:
436
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.082g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
285.361g/mol
Monoisotopic Mass:
285.082g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
47.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
Literature
| Title | Journal |
|---|---|
| 2-Chloro-methyl-3-methyl-1-phenyl-sulfonyl-1H-indole. | Acta crystallographica. Section E, Structure reports online 20091101 |
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