| CAS Number | 832127-40-9 |
| Catalog Number | AG019PD1 |
| Chemical Name | 2-chloro-N-[1-(2,5-dimethoxyphenyl)ethyl]acetamide |
| IUPAC Name | 2-chloro-N-[1-(2,5-dimethoxyphenyl)ethyl]acetamide |
| InChI | InChI=1S/C12H16ClNO3/c1-8(14-12(15)7-13)10-6-9(16-2)4-5-11(10)17-3/h4-6,8H,7H2,1-3H3,(H,14,15) |
| InChI Key | KJGIQORERUZKTM-UHFFFAOYSA-N |
| MDL Number | MFCD05667048 |
| Molecular Formula | C12H16ClNO3 |
| Molecular Weight | 257.7133 |
| SMILES | COC1=CC(C(NC(CCl)=O)C)=C(OC)C=C1 |
| Synonyms | 2-chloro-N-[1-(2,5-dimethoxyphenyl)ethyl]acetamide,
832127-40-9,
AC1Q486I,
CTK6A4667,
MFCD05667048,
STK310445,
AKOS001260990,
AKOS017283003,
MCULE-7989482485,
NE27440,
ST45086715,
EN300-23264,
N-[(2,5-dimethoxyphenyl)ethyl]-2-chloroacetamide,
|
| Complexity | 250 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 257.082g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 257.714g/mol |
| Monoisotopic Mass | 257.082g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 47.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number