| CAS Number | 1583245-31-1 |
| Catalog Number | AG01A62Y |
| Chemical Name | tert-butyl (2R)-2-(2-chloroacetamido)-3-phenylpropanoate |
| IUPAC Name | tert-butyl 2-[(2-chloroacetyl)amino]-3-phenylpropanoate |
| InChI | InChI=1S/C15H20ClNO3/c1-15(2,3)20-14(19)12(17-13(18)10-16)9-11-7-5-4-6-8-11/h4-8,12H,9-10H2,1-3H3,(H,17,18) |
| InChI Key | MEVWIVBKIHNFRW-UHFFFAOYSA-N |
| MDL Number | MFCD29060239 |
| Molecular Formula | C15H20ClNO3 |
| Molecular Weight | 297.7772 |
| SMILES | CC(OC([C@H](NC(CCl)=O)CC1=CC=CC=C1)=O)(C)C |
| Synonyms | tert-butyl (2S)-2-(2-chloroacetamido)-3-phenylpropanoate,
1583245-31-1,
610314-15-3,
tert-butyl (2R)-2-(2-chloroacetamido)-3-phenylpropanoate,
SCHEMBL15610735,
tert-butyl 2-(2-chloroacetamido)-3-phenylpropanoate,
|
| Complexity | 333 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 297.113g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 297.779g/mol |
| Monoisotopic Mass | 297.113g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 55.4A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
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Certificate of Analysis
Lot Number