| CAS Number | 1951445-05-8 |
| Catalog Number | AG00I3CX(AGN-PC-0WQWUF) |
| Chemical Name | N-(4-Bromo-2-methanesulfonylphenyl)acetamide |
| IUPAC Name | N-(4-bromo-2-methylsulfonylphenyl)acetamide |
| InChI | InChI=1S/C9H10BrNO3S/c1-6(12)11-8-4-3-7(10)5-9(8)15(2,13)14/h3-5H,1-2H3,(H,11,12) |
| InChI Key | IJCCMGZXIAJZJD-UHFFFAOYSA-N |
| MDL Number | MFCD29917486 |
| Molecular Formula | C9H10BrNO3S |
| Molecular Weight | 292.1496 |
| SMILES | CC(=O)Nc1ccc(cc1S(=O)(=O)C)Br |
| Synonyms | N-(4-Bromo-2-methanesulfonylphenyl)acetamide,
1951445-05-8,
|
| Complexity | 336 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 290.95648g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 292.15g/mol |
| Monoisotopic Mass | 290.95648g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 71.6Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
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Certificate of Analysis
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