| CAS Number | 1401796-84-6 |
| Catalog Number | AG01FGZL(AGN-PC-3H4ALF) |
| Chemical Name | 1-(Bromomethyl)-2-fluoro-4-(methylsulfonyl)benzene |
| IUPAC Name | 1-(bromomethyl)-2-fluoro-4-methylsulfonylbenzene |
| InChI | InChI=1S/C8H8BrFO2S/c1-13(11,12)7-3-2-6(5-9)8(10)4-7/h2-4H,5H2,1H3 |
| InChI Key | SCIXMRMYVLKFBO-UHFFFAOYSA-N |
| MDL Number | MFCD28348619 |
| Molecular Formula | C8H8BrFO2S |
| Molecular Weight | 267.1153 |
| SMILES | BrCc1ccc(cc1F)S(=O)(=O)C |
| Synonyms | 2-Fluoro-4-(methylsulfonyl)benzyl bromide,
1401796-84-6,
SCHEMBL20323521,
MFCD28348619,
ZINC169807524,
FCH4077240,
PS-9935,
PC501375,
|
| 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