| CAS Number | 1206087-06-0 |
| Catalog Number | AG01DSVH(AGN-PC-082MDH) |
| Chemical Name | 5-Bromo-2,4-dimethylbenzene-1-sulfonamide |
| IUPAC Name | 5-bromo-2,4-dimethylbenzenesulfonamide |
| InChI | InChI=1S/C8H10BrNO2S/c1-5-3-6(2)8(4-7(5)9)13(10,11)12/h3-4H,1-2H3,(H2,10,11,12) |
| InChI Key | YUAXEVDKRHDKBD-UHFFFAOYSA-N |
| MDL Number | MFCD17925822 |
| Molecular Formula | C8H10BrNO2S |
| Molecular Weight | 264.1395 |
| SMILES | CC1=C(Br)C=C(S(N)(=O)=O)C(C)=C1 |
| Synonyms | 5-bromo-2,4-dimethylbenzenesulfonamide,
5-bromo-2,4-dimethylbenzene-1-sulfonamide,
1206087-06-0,
SCHEMBL20182618,
ZINC41096017,
AKOS005140207,
MCULE-8419356196,
ST51069178,
AP-263/43503440,
Z992948432,
|
| Complexity | 272 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 262.962g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 264.137g/mol |
| Monoisotopic Mass | 262.962g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 68.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number