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61613-20-5 | N-Tosyl-2-iodoaniline
CAS No: 61613-20-5 Catalog No: AG00EFB1 MDL No:MFCD00574370
Product Description
Catalog Number:
AG00EFB1
Chemical Name:
N-Tosyl-2-iodoaniline
CAS Number:
61613-20-5
Molecular Formula:
C13H12INO2S
Molecular Weight:
373.2094
MDL Number:
MFCD00574370
IUPAC Name:
N-(2-iodophenyl)-4-methylbenzenesulfonamide
InChI:
InChI=1S/C13H12INO2S/c1-10-6-8-11(9-7-10)18(16,17)15-13-5-3-2-4-12(13)14/h2-9,15H,1H3
InChI Key:
TZKVYDXSGFMXDH-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)Nc1ccccc1I
Properties
Complexity:
358
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
372.963g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
373.208g/mol
Monoisotopic Mass:
372.963g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
54.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
Literature
| Title | Journal |
|---|---|
| Palladium on carbon-catalyzed synthesis of 2- and 2,3-substituted indoles under heterogeneous conditions. | Organic & biomolecular chemistry 20100721 |
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