| CAS Number | 1261472-95-0 |
| Catalog Number | AG01BBJC |
| Chemical Name | 2-bromo-3-methylbenzene-1-sulfonamide |
| IUPAC Name | 2-bromo-3-methylbenzenesulfonamide |
| InChI | InChI=1S/C7H8BrNO2S/c1-5-3-2-4-6(7(5)8)12(9,10)11/h2-4H,1H3,(H2,9,10,11) |
| InChI Key | IMUHHEIDLMLJPS-UHFFFAOYSA-N |
| MDL Number | MFCD18089312 |
| Molecular Formula | C7H8BrNO2S |
| Molecular Weight | 250.1129 |
| SMILES | O=S(C1=CC=CC(C)=C1Br)(N)=O |
| Synonyms | 2-Bromo-3-methylbenzenesulfonamide,
1261472-95-0,
2-bromo-3-methylbenzene-1-sulfonamide,
CTK8E3833,
KS-00002X0L,
ZINC67796577,
AKOS017558159,
FS-2527,
TR-030299,
2-bromo-N-methylbenzenesulfonamide,
98192-14-4,
|
| Complexity | 247 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 248.946g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 250.11g/mol |
| Monoisotopic Mass | 248.946g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 68.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number