| CAS Number | 1480694-08-3 |
| Catalog Number | AG01DTT2(AGN-PC-0ETIE6) |
| Chemical Name | 4-Bromo-N-(2,4,5-trifluorophenyl)benzenesulfonamide |
| IUPAC Name | 4-bromo-N-(2,4,5-trifluorophenyl)benzenesulfonamide |
| InChI | InChI=1S/C12H7BrF3NO2S/c13-7-1-3-8(4-2-7)20(18,19)17-12-6-10(15)9(14)5-11(12)16/h1-6,17H |
| InChI Key | URZOSHSPHZSFLC-UHFFFAOYSA-N |
| MDL Number | MFCD22125201 |
| Molecular Formula | C12H7BrF3NO2S |
| Molecular Weight | 366.1537 |
| SMILES | BrC1=CC=C(C=C1)S(=O)(=O)NC1=C(C=C(C(=C1)F)F)F |
| Synonyms | 1480694-08-3,
4-Bromo-N-(2,4,5-trifluorophenyl)-Benzenesulfonamide,
MFCD22125201,
ZINC61095164,
AKOS012104085,
4-bromo-N-(2,4,5-trifluorophenyl)benzenesulfonamide,
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| Complexity | 423 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 364.933g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 366.152g/mol |
| Monoisotopic Mass | 364.933g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 54.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number