| CAS Number | 313067-48-0 |
| Catalog Number | AG01A2TD |
| Chemical Name | Ethyl 2-(2-(4-chlorophenyl)acetamido)acetate |
| IUPAC Name | ethyl 2-[[2-(4-chlorophenyl)acetyl]amino]acetate |
| InChI | InChI=1S/C12H14ClNO3/c1-2-17-12(16)8-14-11(15)7-9-3-5-10(13)6-4-9/h3-6H,2,7-8H2,1H3,(H,14,15) |
| InChI Key | XBJRLLFFZUBSOI-UHFFFAOYSA-N |
| MDL Number | MFCD01131964 |
| Molecular Formula | C12H14ClNO3 |
| Molecular Weight | 255.6975 |
| SMILES | CCOC(CNC(CC1=CC=C(Cl)C=C1)=O)=O |
| Synonyms | ethyl 2-[2-(4-chlorophenyl)acetamido]acetate,
313067-48-0,
ethyl N-[(4-chlorophenyl)acetyl]glycinate,
Ethyl 2-(2-(4-chlorophenyl)acetamido)acetate,
AC1LYPSY,
MLS000779868,
CHEMBL1438444,
HMS2800N17,
ZINC2281280,
STK001239,
AKOS003856894,
MCULE-4732464793,
NE56028,
SMR000419972,
ethyl 2-[[2-(4-chlorophenyl)acetyl]amino]acetate,
[2-(4-Chloro-phenyl)-acetylamino]-acetic acid ethyl ester,
C12H14ClNO3,
ZINC02281280,
CID1905085,
|
| Complexity | 263 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 255.066g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 255.698g/mol |
| Monoisotopic Mass | 255.066g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 55.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number