| CAS Number | 885396-64-5 |
| Catalog Number | AG019EUQ |
| Chemical Name | 4-Bromo-N-(5-fluoro-2-methylphenyl)benzenesulfonamide |
| IUPAC Name | 4-bromo-N-(5-fluoro-2-methylphenyl)benzenesulfonamide |
| InChI | InChI=1S/C13H11BrFNO2S/c1-9-2-5-11(15)8-13(9)16-19(17,18)12-6-3-10(14)4-7-12/h2-8,16H,1H3 |
| InChI Key | HVPCBXJXZXPMTN-UHFFFAOYSA-N |
| MDL Number | MFCD05139658 |
| Molecular Formula | C13H11BrFNO2S |
| Molecular Weight | 344.1993 |
| SMILES | BrC1=CC=C(C=C1)S(=O)(=O)NC1=C(C=CC(=C1)F)C |
| Synonyms | 4-bromo-N-(5-fluoro-2-methylphenyl)benzenesulfonamide,
885396-64-5,
MFCD05139658,
STL426383,
ZINC13948436,
AKOS003858226,
SC-56551,
CS-0061178,
4-Bromo-N-(5-fluoro-2-methyl-phenyl)-benzenesulfon,
4-Bromo-N-(5-fluoro-2-methylphenyl)-benzenesulfonamide,
|
| Complexity | 390 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 342.968g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 344.198g/mol |
| Monoisotopic Mass | 342.968g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 54.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number