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Home > Indoles and Oxindole > 1818847-55-0
1818847-55-0 | 1H-Indole, 6-iodo-2-methyl-1-(phenylsulfonyl)-
CAS No: 1818847-55-0 Catalog No: AG002374 MDL No:MFCD29060183
Product Description
Catalog Number:
AG002374
Chemical Name:
1H-Indole, 6-iodo-2-methyl-1-(phenylsulfonyl)-
CAS Number:
1818847-55-0
Molecular Formula:
C15H12INO2S
Molecular Weight:
397.2307
MDL Number:
MFCD29060183
IUPAC Name:
1-(benzenesulfonyl)-6-iodo-2-methylindole
InChI:
InChI=1S/C15H12INO2S/c1-11-9-12-7-8-13(16)10-15(12)17(11)20(18,19)14-5-3-2-4-6-14/h2-10H,1H3
InChI Key:
WAAJUAMRMKSCBU-UHFFFAOYSA-N
SMILES:
Ic1ccc2c(c1)n(c(c2)C)S(=O)(=O)c1ccccc1
Properties
Complexity:
441
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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