| CAS Number | 1226036-22-1 |
| Catalog Number | AG019VR9 |
| Chemical Name | 2-chloro-N-[(3-propoxyphenyl)methyl]acetamide |
| IUPAC Name | 2-chloro-N-[(3-propoxyphenyl)methyl]acetamide |
| InChI | InChI=1S/C12H16ClNO2/c1-2-6-16-11-5-3-4-10(7-11)9-14-12(15)8-13/h3-5,7H,2,6,8-9H2,1H3,(H,14,15) |
| InChI Key | MBRQHNKSBMHHOB-UHFFFAOYSA-N |
| MDL Number | MFCD16495550 |
| Molecular Formula | C12H16ClNO2 |
| Molecular Weight | 241.7139 |
| SMILES | CCCOC1=CC(CNC(CCl)=O)=CC=C1 |
| Synonyms | 2-chloro-N-[(3-propoxyphenyl)methyl]acetamide,
1226036-22-1,
AC1Q2YDP,
ZINC41738329,
NE15977,
EN300-48490,
|
| Complexity | 211 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 241.087g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 241.715g/mol |
| Monoisotopic Mass | 241.087g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 38.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number