| CAS Number | 87333-22-0 |
| Catalog Number | AG004HOB(AGN-PC-0WCCXG) |
| Chemical Name | Methyl 2-acetamido-3-chloro-l-propionate |
| EC Number | 442-860-3 |
| IUPAC Name | methyl (2R)-2-acetamido-3-chloro-3-hydroxypropanoate |
| InChI | InChI=1S/C6H10ClNO4/c1-3(9)8-4(5(7)10)6(11)12-2/h4-5,10H,1-2H3,(H,8,9)/t4-,5?/m0/s1 |
| InChI Key | CHFHCGSFJVYQRV-ROLXFIACSA-N |
| MDL Number | MFCD06658148 |
| Molecular Formula | C6H10ClNO3 |
| Molecular Weight | 179.6015 |
| SMILES | COC(C(NC(C)=O)CCl)=O |
| Synonyms | (2R)-Methyl 2-acetamido-3-chloro-3-hydroxypropanoate,
87333-22-0,
CTK8C4796,
ANW-73152,
CA-584,
AK106123,
AX8142942,
TC-161897,
N-Acetyl-3-chloro-L-serine methyl ester,
NSC 146378,
2-Acetamino-3-chlorpropionsaeuremethylester,
Methyl 2-(acetylamino)-3-chloropropionate,
DL-N-Acetyl-beta-chloroalanine methyl ester,
EC 442-860-3,
(+-)-Methyl 2-(acetylamino)-3-chloropropionate,
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| Complexity | 184 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 195.03g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 195.599g/mol |
| Monoisotopic Mass | 195.03g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 75.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number