| CAS Number | 880778-03-0 |
| Catalog Number | AG00H2JB |
| Chemical Name | 4-bromo-N,N,2-trimethylbenzenesulfonamide |
| IUPAC Name | 4-bromo-N,N,2-trimethylbenzenesulfonamide |
| InChI | InChI=1S/C9H12BrNO2S/c1-7-6-8(10)4-5-9(7)14(12,13)11(2)3/h4-6H,1-3H3 |
| InChI Key | KIHNOCLUIFKKSS-UHFFFAOYSA-N |
| MDL Number | MFCD18426346 |
| Molecular Formula | C9H12BrNO2S |
| Molecular Weight | 278.1661 |
| SMILES | O=S(C1=CC=C(Br)C=C1C)(N(C)C)=O |
| Synonyms | 4-bromo-N,N,2-trimethylbenzenesulfonamide,
880778-03-0,
4-bromo-2,N,N-trimethyl-benzenesulfonamide,
SCHEMBL2025374,
KIHNOCLUIFKKSS-UHFFFAOYSA-N,
CS-0086818,
Benzenesulfonamide, 4-bromo-N,N,2-trimethyl-,
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| Complexity | 284 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 276.977g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 278.164g/mol |
| Monoisotopic Mass | 276.977g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 45.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number