| CAS Number | 942199-49-7 |
| Catalog Number | AG01FGZF(AGN-PC-3H4AL9) |
| Chemical Name | 3-Fluoro-4-(methylsulphonyl)benzyl bromide |
| IUPAC Name | 4-(bromomethyl)-2-fluoro-1-methylsulfonylbenzene |
| InChI | InChI=1S/C8H8BrFO2S/c1-13(11,12)8-3-2-6(5-9)4-7(8)10/h2-4H,5H2,1H3 |
| InChI Key | CJNUKUVHHHSIOD-UHFFFAOYSA-N |
| MDL Number | MFCD20485579 |
| Molecular Formula | C8H8BrFO2S |
| Molecular Weight | 267.1153 |
| SMILES | FC=1C=C(CBr)C=CC1S(=O)(=O)C |
| Synonyms | 3-Fluoro-4-(methylsulphonyl)benzyl bromide,
942199-49-7,
SCHEMBL1940002,
CJNUKUVHHHSIOD-UHFFFAOYSA-N,
MFCD20485579,
ZINC117591894,
FCH1605856,
PS-9934,
PC501365,
4-Bromomethyl-2-fluoro-1-methylsulfonylbenzene,
4-Bromomethyl-2-fluoro-1-methanesulfonyl-benzene,
3-Fluoro-4-(methylsulfonyl)benzyl bromide,
|
| Complexity | 260 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 265.941g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 267.112g/mol |
| Monoisotopic Mass | 265.941g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 42.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number