| CAS Number | 1701629-91-5 |
| Catalog Number | AG00HZDP(AGN-PC-0WOBNE) |
| Chemical Name | N-(4-Bromo-3-chlorophenyl)aminosulfonamide |
| IUPAC Name | 1-bromo-2-chloro-4-(sulfamoylamino)benzene |
| InChI | InChI=1S/C6H6BrClN2O2S/c7-5-2-1-4(3-6(5)8)10-13(9,11)12/h1-3,10H,(H2,9,11,12) |
| InChI Key | GYISKCLXSRTZKE-UHFFFAOYSA-N |
| MDL Number | MFCD26383407 |
| Molecular Formula | C6H6BrClN2O2S |
| Molecular Weight | 285.5460 |
| SMILES | Brc1ccc(cc1Cl)NS(=O)(=O)N |
| Synonyms | N-(4-BROMO-3-CHLOROPHENYL)AMINOSULFONAMIDE,
1701629-91-5,
C6H6BrClN2O2S,
KM3597,
ZINC95494806,
Y2951,
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| Complexity | 266 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 283.902g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 285.54g/mol |
| Monoisotopic Mass | 283.902g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 80.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
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Certificate of Analysis
Lot Number