| CAS Number | 1645275-47-3 |
| Catalog Number | AG01FH9K(AGN-PC-3H4AN9) |
| Chemical Name | 4-(Bromomethyl)-2-fluorobenzenesulphonamide |
| IUPAC Name | 4-(bromomethyl)-2-fluorobenzenesulfonamide |
| InChI | InChI=1S/C7H7BrFNO2S/c8-4-5-1-2-7(6(9)3-5)13(10,11)12/h1-3H,4H2,(H2,10,11,12) |
| InChI Key | MEDZIOXQDCBAHD-UHFFFAOYSA-N |
| MDL Number | MFCD28986199 |
| Molecular Formula | C7H7BrFNO2S |
| Molecular Weight | 268.1034 |
| SMILES | O=S(C1=CC=C(CBr)C=C1F)(N)=O |
| Synonyms | 4-(Bromomethyl)-2-fluorobenzenesulphonamide,
1645275-47-3,
MFCD28986199,
ZINC259431638,
FCH4213177,
PC52125,
PS-9927,
|
| 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 | 1.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number