| CAS Number | 866208-07-3 |
| Catalog Number | AG01C1DX(AGN-PC-080FKN) |
| Chemical Name | 1-(Bromomethyl)-3-(trifluoromethylsulfonyl)benzene |
| IUPAC Name | 1-(bromomethyl)-3-(trifluoromethylsulfonyl)benzene |
| InChI | InChI=1S/C8H6BrF3O2S/c9-5-6-2-1-3-7(4-6)15(13,14)8(10,11)12/h1-4H,5H2 |
| InChI Key | CSEJNPDLDAEZQZ-UHFFFAOYSA-N |
| MDL Number | MFCD14706281 |
| Molecular Formula | C8H6BrF3O2S |
| Molecular Weight | 303.0962 |
| SMILES | FC(S(C1=CC(CBr)=CC=C1)(=O)=O)(F)F |
| Synonyms | 866208-07-3,
3-(Trifluoromethylsulfonyl)benzyl bromide,
1-(bromomethyl)-3-(trifluoromethylsulfonyl)benzene,
3-(Bromomethyl)(trifluoromethylsulfonyl)benzene,
SCHEMBL1604912,
MFCD14706281,
ZINC66325774,
AKOS015890998,
PS-9898,
I01-8624,
1-(BROMOMETHYL)-3-TRIFLUOROMETHANESULFONYLBENZENE,
Benzene, 1-(bromomethyl)-3-[(trifluoromethyl)sulfonyl]-,
|
| Complexity | 307 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 301.922g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 303.093g/mol |
| Monoisotopic Mass | 301.922g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 42.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number