| CAS Number | 1000932-63-7 |
| Catalog Number | AG019LFH |
| Chemical Name | 2-chloro-N-(2-chloroacetyl)-N-(3,4,5-trimethoxyphenyl)acetamide |
| IUPAC Name | 2-chloro-N-(2-chloroacetyl)-N-(3,4,5-trimethoxyphenyl)acetamide |
| InChI | InChI=1S/C13H15Cl2NO5/c1-19-9-4-8(5-10(20-2)13(9)21-3)16(11(17)6-14)12(18)7-15/h4-5H,6-7H2,1-3H3 |
| InChI Key | UVJJMADHHHLFOV-UHFFFAOYSA-N |
| MDL Number | MFCD18909759 |
| Molecular Formula | C13H15Cl2NO5 |
| Molecular Weight | 336.1679 |
| SMILES | COC1=C(OC)C(OC)=CC(N(C(CCl)=O)C(CCl)=O)=C1 |
| Synonyms | 2-chloro-N-(2-chloroacetyl)-N-(3,4,5-trimethoxyphenyl)acetamide,
1000932-63-7,
2-chloro-N-(chloroacetyl)-N-(3,4,5-trimethoxyphenyl)acetamide,
AC1Q47QC,
CTK6H4798,
AKOS030652195,
ZINC100567856,
MCULE-2804742087,
NE24755,
EN300-31080,
|
| Complexity | 339 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 335.033g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 336.165g/mol |
| Monoisotopic Mass | 335.033g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 65.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number