| CAS Number | 1000339-74-1 |
| Catalog Number | AG01F3GV(AGN-PC-3H48PC) |
| Chemical Name | 4-Bromo-2-fluoro-5-methylsulfonyltoluene |
| IUPAC Name | 1-bromo-5-fluoro-4-methyl-2-methylsulfonylbenzene |
| InChI | InChI=1S/C8H8BrFO2S/c1-5-3-8(13(2,11)12)6(9)4-7(5)10/h3-4H,1-2H3 |
| InChI Key | DKCSMZJMLABZBI-UHFFFAOYSA-N |
| MDL Number | MFCD09264557 |
| Molecular Formula | C8H8BrFO2S |
| Molecular Weight | 267.1153 |
| SMILES | C1(Br)C(S(C)(=O)=O)=CC(C)=C(F)C=1 |
| Synonyms | 4-Bromo-2-fluoro-5-methylsulfonyltoluene,
1000339-74-1,
4-bromo-2-fluoro-5-(methylsulphonyl)toluene,
1-Bromo-5-fluoro-4-methyl-2-(methylsulfonyl)benzene,
CTK7B7938,
ZX-AP012286,
MFCD09264557,
PC7495,
ZINC15443546,
AKOS015835429,
FCH1392064,
TR-048595,
BB 0259869,
1-bromo-5-fluoro-2-methanesulfonyl-4-methylbenzene,
|
| Complexity | 272 |
| 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 | 1 |
| Topological Polar Surface Area | 42.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number