| CAS Number | 153698-38-5 |
| Catalog Number | AG019UJ0 |
| Chemical Name | 1-difluoromethanesulfonyl-4-fluorobenzene |
| IUPAC Name | 1-(difluoromethylsulfonyl)-4-fluorobenzene |
| InChI | InChI=1S/C7H5F3O2S/c8-5-1-3-6(4-2-5)13(11,12)7(9)10/h1-4,7H |
| InChI Key | UPINLVQNYWNAKK-UHFFFAOYSA-N |
| MDL Number | MFCD11857852 |
| Molecular Formula | C7H5F3O2S |
| Molecular Weight | 210.1736 |
| SMILES | C1=CC(=CC=C1F)S(=O)(=O)C(F)F |
| Synonyms | 1-difluoromethanesulfonyl-4-fluorobenzene,
1-(difluoromethane)sulfonyl-4-fluorobenzene,
153698-38-5,
AC1Q4KRB,
SCHEMBL9732244,
CTK8F2798,
ZINC32625173,
AKOS009491929,
NE41565,
EN300-41829,
AB00999657-01,
|
| Complexity | 249 |
| 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