| CAS Number | 1711413-55-6 |
| Catalog Number | AG019EUS |
| Chemical Name | 4-Bromo-N-(3,4-dimethylphenyl)-2-fluoro-benzenesulfonamide |
| IUPAC Name | 4-bromo-N-(3,4-dimethylphenyl)-2-fluorobenzenesulfonamide |
| InChI | InChI=1S/C14H13BrFNO2S/c1-9-3-5-12(7-10(9)2)17-20(18,19)14-6-4-11(15)8-13(14)16/h3-8,17H,1-2H3 |
| InChI Key | MWDSLCQEOMNXPJ-UHFFFAOYSA-N |
| MDL Number | MFCD28098722 |
| Molecular Formula | C14H13BrFNO2S |
| Molecular Weight | 358.2259 |
| SMILES | BrC1=CC(=C(C=C1)S(=O)(=O)NC1=CC(=C(C=C1)C)C)F |
| Synonyms | 4-BROMO-N-(3,4-DIMETHYLPHENYL)-2-FLUOROBENZENESULFONAMIDE,
1711413-55-6,
ZINC98073016,
CS-0061325,
4-Bromo-N-(3,4-dimethylphenyl)-2-fluoro-benzenesulfonamide,
|
| Complexity | 425 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 356.983g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 358.225g/mol |
| Monoisotopic Mass | 356.983g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 54.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number