| CAS Number | 749928-85-6 |
| Catalog Number | AG00G9Z2(AGN-PC-0WCTMP) |
| Chemical Name | 4-Bromo-2-fluoro-N-methylbenzenesulfonamide |
| IUPAC Name | 4-bromo-2-fluoro-N-methylbenzenesulfonamide |
| InChI | InChI=1S/C7H7BrFNO2S/c1-10-13(11,12)7-3-2-5(8)4-6(7)9/h2-4,10H,1H3 |
| InChI Key | HCZPFVFQXCRMHL-UHFFFAOYSA-N |
| MDL Number | MFCD18426253 |
| Molecular Formula | C7H7BrFNO2S |
| Molecular Weight | 268.1034 |
| SMILES | BrC1=CC(=C(C=C1)S(=O)(=O)NC)F |
| Synonyms | 4-bromo-2-fluoro-N-methylbenzenesulfonamide,
749928-85-6,
SCHEMBL2371748,
ZINC118747220,
AM87744,
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| Complexity | 264 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 266.936g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 268.1g/mol |
| Monoisotopic Mass | 266.936g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 54.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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