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Home > Indoles and Oxindole > 1257657-62-7
1257657-62-7 | 1H-Indole, 2-iodo-1-[(4-methylphenyl)sulfonyl]-
CAS No: 1257657-62-7 Catalog No: AG000ONH MDL No:
Product Description
Catalog Number:
AG000ONH
Chemical Name:
1H-Indole, 2-iodo-1-[(4-methylphenyl)sulfonyl]-
CAS Number:
1257657-62-7
Molecular Formula:
C15H12INO2S
Molecular Weight:
397.2308
IUPAC Name:
2-iodo-1-(4-methylphenyl)sulfonylindole
InChI:
InChI=1S/C15H12INO2S/c1-11-6-8-13(9-7-11)20(18,19)17-14-5-3-2-4-12(14)10-15(17)16/h2-10H,1H3
InChI Key:
JERQQGZPSOGSPY-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)n1c(I)cc2c1cccc2
Properties
Complexity:
439
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
396.963g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
397.23g/mol
Monoisotopic Mass:
396.963g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
47.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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