| CAS Number | 701256-64-6 |
| Catalog Number | AG01DTTK(AGN-PC-0KDC8A) |
| Chemical Name | 4-bromo-N-[4-chloro-2-(trifluoromethyl)phenyl]benzenesulfonamide |
| IUPAC Name | 4-bromo-N-[4-chloro-2-(trifluoromethyl)phenyl]benzenesulfonamide |
| InChI | InChI=1S/C13H8BrClF3NO2S/c14-8-1-4-10(5-2-8)22(20,21)19-12-6-3-9(15)7-11(12)13(16,17)18/h1-7,19H |
| InChI Key | BTKJCIHUDMHWAG-UHFFFAOYSA-N |
| MDL Number | MFCD04219866 |
| Molecular Formula | C13H8BrClF3NO2S |
| Molecular Weight | 414.6253 |
| SMILES | Brc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1C(F)(F)F)Cl |
| Synonyms | 4-Bromo-N-[4-chloro-2-(trifluoromethyl)phenyl]-Benzenesulfonamide,
701256-64-6,
AC1M2ZZW,
ZINC2850402,
AKOS003332300,
MCULE-6751960997,
SC-56644,
4-Bromo-N-(4-chloro-2-trifluoromethyl-phenyl)-benz,
4-bromo-N-[4-chloro-2-(trifluoromethyl)phenyl]benzenesulfonamide,
ZINC02850402,
CID2204151,
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| Complexity | 475 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 412.91g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 414.621g/mol |
| Monoisotopic Mass | 412.91g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 54.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.6 |
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Certificate of Analysis
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