| CAS Number | 379254-30-5 |
| Catalog Number | AG019GWC(AGN-PC-0KFY0L) |
| Chemical Name | 2-chloro-N-{4-[(difluoromethyl)sulfanyl]phenyl}acetamide |
| IUPAC Name | 2-chloro-N-[4-(difluoromethylsulfanyl)phenyl]acetamide |
| InChI | InChI=1S/C9H8ClF2NOS/c10-5-8(14)13-6-1-3-7(4-2-6)15-9(11)12/h1-4,9H,5H2,(H,13,14) |
| InChI Key | OMMVKJHVXUMRML-UHFFFAOYSA-N |
| MDL Number | MFCD02670624 |
| Molecular Formula | C9H8ClF2NOS |
| Molecular Weight | 251.6807 |
| SMILES | FC(SC1=CC=C(NC(CCl)=O)C=C1)F |
| Synonyms | 2-chloro-N-{4-[(difluoromethyl)sulfanyl]phenyl}acetamide,
2-Chloro-N-(4-difluoromethylsulfanyl-phenyl)-acetamide,
379254-30-5,
N-[4-(difluoromethylthio)phenyl]-2-chloroacetamide,
AC1M6SZC,
AC1Q4KRX,
CTK6H5525,
ZINC3289344,
SBB016536,
AKOS000115065,
MCULE-5758213768,
NE36601,
ST50211405,
EN300-01497,
2-chloro-N-[4-(difluoromethylsulfanyl)phenyl]acetamide,
ZINC03289344,
CID2404865,
|
| Complexity | 210 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 250.998g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 251.676g/mol |
| Monoisotopic Mass | 250.998g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 54.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number