| CAS Number | 1171094-64-6 |
| Catalog Number | AG01BR4R |
| Chemical Name | 1,3-diethyl 2-[(3,4-dichlorophenyl)formamido]propanedioate |
| IUPAC Name | diethyl 2-[(3,4-dichlorobenzoyl)amino]propanedioate |
| InChI | InChI=1S/C14H15Cl2NO5/c1-3-21-13(19)11(14(20)22-4-2)17-12(18)8-5-6-9(15)10(16)7-8/h5-7,11H,3-4H2,1-2H3,(H,17,18) |
| InChI Key | FGSSRTKUSMXIOB-UHFFFAOYSA-N |
| MDL Number | MFCD13251730 |
| Molecular Formula | C14H15Cl2NO5 |
| Molecular Weight | 348.1786 |
| SMILES | CCOC(C(C(OCC)=O)NC(C1=CC(Cl)=C(Cl)C=C1)=O)=O |
| Synonyms | 1,3-diethyl 2-[(3,4-dichlorophenyl)formamido]propanedioate,
1171094-64-6,
ZINC16482598,
|
| Complexity | 400 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 347.033g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 348.176g/mol |
| Monoisotopic Mass | 347.033g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 81.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number