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Home > Indoles and Oxindole > 123892-57-9
123892-57-9 | 1H-Indole, 7-methyl-1-[(4-methylphenyl)sulfonyl]-
CAS No: 123892-57-9 Catalog No: AG000L83 MDL No:
Product Description
Catalog Number:
AG000L83
Chemical Name:
1H-Indole, 7-methyl-1-[(4-methylphenyl)sulfonyl]-
CAS Number:
123892-57-9
Molecular Formula:
C16H15NO2S
Molecular Weight:
285.3608
IUPAC Name:
7-methyl-1-(4-methylphenyl)sulfonylindole
InChI:
InChI=1S/C16H15NO2S/c1-12-6-8-15(9-7-12)20(18,19)17-11-10-14-5-3-4-13(2)16(14)17/h3-11H,1-2H3
InChI Key:
NBJBSZXTULZDES-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)n1ccc2c1c(C)ccc2
Properties
Complexity:
434
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
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