| CAS Number | 1248147-79-6 |
| Catalog Number | AG01B2LL |
| Chemical Name | N-(3-bromobenzenesulfonyl)acetamide |
| IUPAC Name | N-(3-bromophenyl)sulfonylacetamide |
| InChI | InChI=1S/C8H8BrNO3S/c1-6(11)10-14(12,13)8-4-2-3-7(9)5-8/h2-5H,1H3,(H,10,11) |
| InChI Key | PPFWKFSFOCRHOX-UHFFFAOYSA-N |
| MDL Number | MFCD14599311 |
| Molecular Formula | C8H8BrNO3S |
| Molecular Weight | 278.123 |
| SMILES | CC(NS(C1=CC(Br)=CC=C1)(=O)=O)=O |
| Synonyms | N-(3-Bromobenzenesulfonyl)acetamide,
1248147-79-6,
SCHEMBL1684516,
PPFWKFSFOCRHOX-UHFFFAOYSA-N,
N-(3-bromophenylsulfonyl)-acetamide,
ZINC40692807,
AKOS010465007,
|
| Complexity | 309 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 276.941g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 278.12g/mol |
| Monoisotopic Mass | 276.941g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 71.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number