| CAS Number | 1355680-54-4 |
| Catalog Number | AG009YIS(AGN-PC-0WCTMD) |
| Chemical Name | 4-bromo-N-(tert-butyl)-2-fluorobenzenesulfonamide |
| IUPAC Name | 4-bromo-N-tert-butyl-2-fluorobenzenesulfonamide |
| InChI | InChI=1S/C10H13BrFNO2S/c1-10(2,3)13-16(14,15)9-5-4-7(11)6-8(9)12/h4-6,13H,1-3H3 |
| InChI Key | IVXIRJRNMJOMFT-UHFFFAOYSA-N |
| MDL Number | MFCD27824720 |
| Molecular Formula | C10H13BrFNO2S |
| Molecular Weight | 310.1831 |
| SMILES | BrC1=CC(=C(C=C1)S(=O)(=O)NC(C)(C)C)F |
| Synonyms | 4-bromo-N-(tert-butyl)-2-fluorobenzenesulfonamide,
1355680-54-4,
SCHEMBL14930239,
ZINC96171074,
AKOS027423727,
AM86557,
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| Complexity | 334 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 308.983g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 310.181g/mol |
| Monoisotopic Mass | 308.983g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 54.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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