| CAS Number | 750599-03-2 |
| Catalog Number | AG00G3V1 |
| Chemical Name | 2-chloro-N-[1-(4-fluorophenyl)ethyl]propanamide |
| IUPAC Name | 2-chloro-N-[1-(4-fluorophenyl)ethyl]propanamide |
| InChI | InChI=1S/C11H13ClFNO/c1-7(12)11(15)14-8(2)9-3-5-10(13)6-4-9/h3-8H,1-2H3,(H,14,15) |
| InChI Key | XVXFVUJDOHMVOV-UHFFFAOYSA-N |
| MDL Number | MFCD06335040 |
| Molecular Formula | C11H13ClFNO |
| Molecular Weight | 229.6784 |
| SMILES | CC(Cl)C(NC(C1=CC=C(F)C=C1)C)=O |
| Synonyms | 2-chloro-N-[1-(4-fluorophenyl)ethyl]propanamide,
750599-03-2,
2-Chloro-N-(1-(4-fluorophenyl)ethyl)propanamide,
AC1MXUIU,
AC1Q2AUI,
CTK6A5088,
AKOS008965156,
MCULE-6070840535,
NE27316,
EN300-08016,
SR-01000052932,
J-509110,
SR-01000052932-1,
ZINC02650694,
CID3771610,
|
| Complexity | 217 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 229.067g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 229.679g/mol |
| Monoisotopic Mass | 229.067g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 29.1A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number