| CAS Number | 1228784-41-5 |
| Catalog Number | AG019UJ1 |
| Chemical Name | 1-Difluoromethanesulfonyl-2-fluorobenzene |
| IUPAC Name | 1-(difluoromethylsulfonyl)-2-fluorobenzene |
| InChI | InChI=1S/C7H5F3O2S/c8-5-3-1-2-4-6(5)13(11,12)7(9)10/h1-4,7H |
| InChI Key | FHJHSNGZQYRXDX-UHFFFAOYSA-N |
| MDL Number | MFCD16039980 |
| Molecular Formula | C7H5F3O2S |
| Molecular Weight | 210.1736 |
| SMILES | FC(S(C1=C(F)C=CC=C1)(=O)=O)F |
| Synonyms | 1-difluoromethanesulfonyl-2-fluorobenzene,
1228784-41-5,
1-(difluoromethane)sulfonyl-2-fluorobenzene,
AC1Q4KR4,
Benzene,1-[(difluoromethyl)sulfonyl]-2-fluoro-,
SCHEMBL1955701,
ZINC47840149,
AKOS009491935,
NE17387,
EN300-41830,
|
| Complexity | 257 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 209.996g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 210.17g/mol |
| Monoisotopic Mass | 209.996g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 42.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number