| CAS Number | 61613-20-5 |
| Catalog Number | AG00EFB1(AGN-PC-0K4FF0) |
| Chemical Name | N-Tosyl-2-iodoaniline |
| 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 |
| MDL Number | MFCD00574370 |
| Molecular Formula | C13H12INO2S |
| Molecular Weight | 373.2094 |
| SMILES | IC1=C(C=CC=C1)NS(=O)(=O)C1=CC=C(C=C1)C |
| Synonyms | N-(2-iodophenyl)-4-methylbenzenesulfonamide,
61613-20-5,
n-tosyl-2-iodoaniline,
STK040583,
Benzenesulfonamide, N-(2-iodophenyl)-4-methyl-,
N-nosyl-o-iodoaniline,
AC1LQH3D,
CBDivE_008347,
SCHEMBL4376657,
CTK2D6275,
DTXSID70362400,
ZINC1225619,
MFCD00574370,
AKOS001294495,
MCULE-5992333308,
CS-0061312,
ZINC01225619,
CID1375894,
296273-08-0,
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| 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 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number