| CAS Number | 1221723-34-7 |
| Catalog Number | AG01A82X |
| Chemical Name | 1-(Chloromethyl)-4-[(difluoromethyl)sulfanyl]benzene |
| IUPAC Name | 1-(chloromethyl)-4-(difluoromethylsulfanyl)benzene |
| InChI | InChI=1S/C8H7ClF2S/c9-5-6-1-3-7(4-2-6)12-8(10)11/h1-4,8H,5H2 |
| InChI Key | FQMSVRJKZVGTOO-UHFFFAOYSA-N |
| MDL Number | MFCD15209596 |
| Molecular Formula | C8H7ClF2S |
| Molecular Weight | 208.6560 |
| SMILES | FC(SC1=CC=C(CCl)C=C1)F |
| Synonyms | 1-(chloromethyl)-4-[(difluoromethyl)sulfanyl]benzene,
1221723-34-7,
AC1Q4KRT,
CTK6H6584,
ZINC47843788,
NE55290,
EN300-60578,
|
| Complexity | 124 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 207.993g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 208.651g/mol |
| Monoisotopic Mass | 207.993g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 25.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number