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Home > Indoles and Oxindole > 139717-71-8
139717-71-8 | 1H-Indole, 5-methoxy-1-[(4-methylphenyl)sulfonyl]-
CAS No: 139717-71-8 Catalog No: AG001BJP MDL No:MFCD22691094
Product Description
Catalog Number:
AG001BJP
Chemical Name:
1H-Indole, 5-methoxy-1-[(4-methylphenyl)sulfonyl]-
CAS Number:
139717-71-8
Molecular Formula:
C16H15NO3S
Molecular Weight:
301.3602
MDL Number:
MFCD22691094
IUPAC Name:
5-methoxy-1-(4-methylphenyl)sulfonylindole
InChI:
InChI=1S/C16H15NO3S/c1-12-3-6-15(7-4-12)21(18,19)17-10-9-13-11-14(20-2)5-8-16(13)17/h3-11H,1-2H3
InChI Key:
SWJXHHMYYCPWLX-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)ccn2S(=O)(=O)c1ccc(cc1)C
Properties
Complexity:
451
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
301.077g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
301.36g/mol
Monoisotopic Mass:
301.077g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
56.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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