| CAS Number | 1182994-29-1 |
| Catalog Number | AG01C2X3 |
| Chemical Name | (4-bromo-2-fluorophenyl)methanesulfonamide |
| IUPAC Name | (4-bromo-2-fluorophenyl)methanesulfonamide |
| InChI | InChI=1S/C7H7BrFNO2S/c8-6-2-1-5(7(9)3-6)4-13(10,11)12/h1-3H,4H2,(H2,10,11,12) |
| InChI Key | WLKLLSKEJDSZCJ-UHFFFAOYSA-N |
| MDL Number | MFCD12783440 |
| Molecular Formula | C7H7BrFNO2S |
| Molecular Weight | 268.1034 |
| SMILES | NS(CC1=C(F)C=C(Br)C=C1)(=O)=O |
| Synonyms | (4-bromo-2-fluorophenyl)methanesulfonamide,
1182994-29-1,
ZINC38136997,
AKOS010296176,
Z1080534756,
|
| 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 | 68.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
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Certificate of Analysis
Lot Number