| CAS Number | 565165-72-2 |
| Catalog Number | AG00ECIT |
| Chemical Name | 2-chloro-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]propanamide |
| IUPAC Name | 2-chloro-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]propanamide |
| InChI | InChI=1S/C12H9ClF2N2OS/c1-6(13)11(18)17-12-16-10(5-19-12)7-2-3-8(14)9(15)4-7/h2-6H,1H3,(H,16,17,18) |
| InChI Key | BLOXIDYZMHFRLV-UHFFFAOYSA-N |
| MDL Number | MFCD03965306 |
| Molecular Formula | C12H9ClF2N2OS |
| Molecular Weight | 302.7275 |
| SMILES | CC(Cl)C(NC1=NC(C2=CC=C(F)C(F)=C2)=CS1)=O |
| Synonyms | 2-Chloro-N-[4-(3,4-difluoro-phenyl)-thiazol-2-yl]-propionamide,
565165-72-2,
2-chloro-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]propanamide,
AC1Q2AXQ,
AC1NF51J,
CTK7F4368,
AKOS000115715,
AKOS017268872,
MCULE-3508734345,
NE25824,
EN300-01959,
J-509126,
2-Chloro-N-(4-(3,4-difluorophenyl)thiazol-2-yl)propanamide,
ZINC03269833,
CID4678033,
|
| Complexity | 337 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 302.009g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 302.724g/mol |
| Monoisotopic Mass | 302.009g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 70.2A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number