| CAS Number | 2031259-14-8 |
| Catalog Number | AG01BV01 |
| Chemical Name | ethyl 2-amino-3-(4-chlorophenyl)-3-hydroxypropanoate hydrochloride |
| IUPAC Name | ethyl 2-amino-3-(4-chlorophenyl)-3-hydroxypropanoate;hydrochloride |
| InChI | InChI=1S/C11H14ClNO3.ClH/c1-2-16-11(15)9(13)10(14)7-3-5-8(12)6-4-7;/h3-6,9-10,14H,2,13H2,1H3;1H |
| InChI Key | JJQWNMGDYWQHCM-UHFFFAOYSA-N |
| MDL Number | MFCD30345331 |
| Molecular Formula | C11H15Cl2NO3 |
| Molecular Weight | 280.1477 |
| SMILES | Cl.CCOC(C(C(C1=CC=C(Cl)C=C1)O)N)=O |
| Synonyms | ethyl 2-amino-3-(4-chlorophenyl)-3-hydroxypropanoate hydrochloride,
2031259-14-8,
Z2679906775,
|
| Complexity | 229 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 279.043g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 280.145g/mol |
| Monoisotopic Mass | 279.043g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 72.6A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
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