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Home > Indoles and Oxindole > 88939-69-9
88939-69-9 | 1H-Indole, 3-ethyl-1-[(4-methoxyphenyl)sulfonyl]-
CAS No: 88939-69-9 Catalog No: AG0047ZP MDL No:
Product Description
Catalog Number:
AG0047ZP
Chemical Name:
1H-Indole, 3-ethyl-1-[(4-methoxyphenyl)sulfonyl]-
CAS Number:
88939-69-9
Molecular Formula:
C17H17NO3S
Molecular Weight:
315.3868
IUPAC Name:
3-ethyl-1-(4-methoxyphenyl)sulfonylindole
InChI:
InChI=1S/C17H17NO3S/c1-3-13-12-18(17-7-5-4-6-16(13)17)22(19,20)15-10-8-14(21-2)9-11-15/h4-12H,3H2,1-2H3
InChI Key:
IAIKZYLMMPUEPG-UHFFFAOYSA-N
SMILES:
CCc1cn(c2c1cccc2)S(=O)(=O)c1ccc(cc1)OC
Properties
Complexity:
465
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
315.093g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
315.387g/mol
Monoisotopic Mass:
315.093g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
56.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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