| CAS Number | 60945-04-2 |
| Catalog Number | AG019JPP(AGN-PC-0WP0NK) |
| Chemical Name | 2-(2-Chloroacetamido)ethyl 2-chloroacetate |
| IUPAC Name | 2-[(2-chloroacetyl)amino]ethyl 2-chloroacetate |
| InChI | InChI=1S/C6H9Cl2NO3/c7-3-5(10)9-1-2-12-6(11)4-8/h1-4H2,(H,9,10) |
| InChI Key | DYAQEUGTXSANCX-UHFFFAOYSA-N |
| MDL Number | MFCD06357424 |
| Molecular Formula | C6H9Cl2NO3 |
| Molecular Weight | 214.0466 |
| SMILES | ClCC(NCCOC(CCl)=O)=O |
| Synonyms | 2-(2-chloroacetamido)ethyl 2-chloroacetate,
60945-04-2,
2-[(2-chloroacetyl)amino]ethyl 2-chloroacetate,
2-[(2-chloroacetyl)amino]ethyl chloroacetate,
AC1NFGS2,
AC1Q3TPA,
CTK6H5951,
ZINC4200202,
AKOS023093138,
MCULE-8381499443,
NE40410,
EN300-10061,
Chloroacetic acid 2-(chloroacetylamino)ethyl ester,
ZINC04200202,
CID4658327,
|
| Complexity | 163 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 212.996g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 214.042g/mol |
| Monoisotopic Mass | 212.996g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 55.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number