| CAS Number | 54734-81-5 |
| Catalog Number | AG01AHN3(AGN-PC-0NJ0MY) |
| Chemical Name | 2-Amino-4-bromobenzene-1-sulfonamide |
| IUPAC Name | 2-amino-4-bromobenzenesulfonamide |
| InChI | InChI=1S/C6H7BrN2O2S/c7-4-1-2-6(5(8)3-4)12(9,10)11/h1-3H,8H2,(H2,9,10,11) |
| InChI Key | TUHHVUXXOPCMLZ-UHFFFAOYSA-N |
| MDL Number | MFCD11621523 |
| Molecular Formula | C6H7BrN2O2S |
| Molecular Weight | 251.1010 |
| SMILES | NC1=C(S(N)(=O)=O)C=CC(Br)=C1 |
| Synonyms | 2-amino-4-bromobenzenesulfonamide,
54734-81-5,
2-amino-4-bromobenzene-1-sulfonamide,
SCHEMBL5307516,
2-amino-4bromobenzenesulfonamide,
4-bromo-2-aminobenzenesulfonamide,
TUHHVUXXOPCMLZ-UHFFFAOYSA-N,
2-amino-4-bromo benzene sulfonamide,
ZINC37055118,
AKOS008126272,
MCULE-3194620062,
NE34504,
EN300-75233,
|
| Complexity | 249 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 249.941g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 251.098g/mol |
| Monoisotopic Mass | 249.941g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 94.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number