| CAS Number | 1206104-66-6 |
| Catalog Number | AG01B2XA |
| Chemical Name | 4-Bromo-3-methoxybenzenesulfonamide |
| IUPAC Name | 4-bromo-3-methoxybenzenesulfonamide |
| InChI | InChI=1S/C7H8BrNO3S/c1-12-7-4-5(13(9,10)11)2-3-6(7)8/h2-4H,1H3,(H2,9,10,11) |
| InChI Key | XHTNDORPWRQZID-UHFFFAOYSA-N |
| MDL Number | MFCD12402659 |
| Molecular Formula | C7H8BrNO3S |
| Molecular Weight | 266.1123 |
| SMILES | BrC1=C(C=C(C=C1)S(=O)(=O)N)OC |
| Synonyms | 4-Bromo-3-methoxybenzenesulfonamide,
1206104-66-6,
4-Bromo-3-methoxybenzene-1-sulfonamide,
DTXSID60677611,
SBB082149,
ZINC40538350,
AKOS005139278,
MCULE-8882373697,
ST51069164,
AP-263/43502813,
Z992054218,
|
| Complexity | 261 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 264.941g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 266.109g/mol |
| Monoisotopic Mass | 264.941g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 77.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number