| CAS Number | 1284698-48-1 |
| Catalog Number | AG019ELQ |
| Chemical Name | 4-Bromo-N-(3-fluoro-2-methylphenyl)benzenesulfonamide |
| IUPAC Name | 4-bromo-N-(3-fluoro-2-methylphenyl)benzenesulfonamide |
| InChI | InChI=1S/C13H11BrFNO2S/c1-9-12(15)3-2-4-13(9)16-19(17,18)11-7-5-10(14)6-8-11/h2-8,16H,1H3 |
| InChI Key | YZRFGEUFATVFCO-UHFFFAOYSA-N |
| MDL Number | MFCD15526145 |
| 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-(3-fluoro-2-methylphenyl)benzenesulfonamide,
1284698-48-1,
ZINC43322905,
AKOS010905085,
SC-56506,
CS-0061195,
4-Bromo-N-(3-fluoro-2-methyl-phenyl)-benzenesulfon,
4-Bromo-N-(3-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