| CAS Number | 349404-77-9 |
| Catalog Number | AG019ER1 |
| Chemical Name | 4-bromo-N-(4-iodophenyl)benzene-1-sulfonamide |
| IUPAC Name | 4-bromo-N-(4-iodophenyl)benzenesulfonamide |
| InChI | InChI=1S/C12H9BrINO2S/c13-9-1-7-12(8-2-9)18(16,17)15-11-5-3-10(14)4-6-11/h1-8,15H |
| InChI Key | JSGNHNGTPIRCJM-UHFFFAOYSA-N |
| MDL Number | MFCD00595028 |
| Molecular Formula | C12H9BrINO2S |
| Molecular Weight | 438.0788 |
| SMILES | Brc1ccc(cc1)S(=O)(=O)Nc1ccc(I)cc1 |
| Synonyms | 4-bromo-N-(4-iodophenyl)benzenesulfonamide,
349404-77-9,
AC1LKIYG,
ZINC682192,
MFCD00595028,
STK980458,
AKOS002376629,
MCULE-6949615200,
SC-56479,
4-Bromo-N-(4-iodophenyl)-benzenesulfonamide,
CS-0060264,
4-Bromo-N-(4-iodo-phenyl)-benzenesulfonamide,
AN-652/10555032,
ZINC00682192,
CID1019199,
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| Complexity | 355 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 436.858g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 438.077g/mol |
| Monoisotopic Mass | 436.858g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 54.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number