| CAS Number | 1226093-15-7 |
| Catalog Number | AG019VQJ |
| Chemical Name | 2-chloro-N-[3-(4-fluorophenoxy)propyl]-N-methylacetamide |
| IUPAC Name | 2-chloro-N-[3-(4-fluorophenoxy)propyl]-N-methylacetamide |
| InChI | InChI=1S/C12H15ClFNO2/c1-15(12(16)9-13)7-2-8-17-11-5-3-10(14)4-6-11/h3-6H,2,7-9H2,1H3 |
| InChI Key | STJIZAGLTYLJTA-UHFFFAOYSA-N |
| MDL Number | MFCD16487292 |
| Molecular Formula | C12H15ClFNO2 |
| Molecular Weight | 259.7044 |
| SMILES | CN(C(CCl)=O)CCCOC1=CC=C(F)C=C1 |
| Synonyms | 2-chloro-N-[3-(4-fluorophenoxy)propyl]-N-methylacetamide,
1226093-15-7,
ZINC41690193,
NE29792,
EN300-48248,
|
| Complexity | 233 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 259.077535g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 259.7g/mol |
| Monoisotopic Mass | 259.077535g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 29.5Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
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Certificate of Analysis
Lot Number