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Home > Indoles and Oxindole > 80360-14-1
80360-14-1 | 3-Iodo-1-(phenylsulfonyl);-1H-indole
CAS No: 80360-14-1 Catalog No: AG003JL5 MDL No:MFCD09037474
Product Description
Catalog Number:
AG003JL5
Chemical Name:
3-Iodo-1-(phenylsulfonyl);-1H-indole
CAS Number:
80360-14-1
Molecular Formula:
C14H10INO2S
Molecular Weight:
383.2042
MDL Number:
MFCD09037474
IUPAC Name:
1-(benzenesulfonyl)-3-iodoindole
InChI:
InChI=1S/C14H10INO2S/c15-13-10-16(14-9-5-4-8-12(13)14)19(17,18)11-6-2-1-3-7-11/h1-10H
InChI Key:
GKYWOZYEMLEJFK-UHFFFAOYSA-N
SMILES:
Ic1cn(c2c1cccc2)S(=O)(=O)c1ccccc1
Properties
Complexity:
414
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
382.948g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
383.203g/mol
Monoisotopic Mass:
382.948g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
47.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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