| CAS Number | 710944-02-8 |
| Catalog Number | AG00IC55(AGN-PC-0WR6XG) |
| Chemical Name | Methyl (2S)-2-amino-3-(2,4-dichlorophenyl)propanoate |
| IUPAC Name | methyl (2S)-2-amino-3-(2,4-dichlorophenyl)propanoate |
| InChI | InChI=1S/C10H11Cl2NO2/c1-15-10(14)9(13)4-6-2-3-7(11)5-8(6)12/h2-3,5,9H,4,13H2,1H3/t9-/m0/s1 |
| InChI Key | VSZLVRSHQJSDSG-VIFPVBQESA-N |
| MDL Number | MFCD08058200 |
| Molecular Formula | C10H11Cl2NO2 |
| Molecular Weight | 248.1058 |
| SMILES | COC([C@H](CC1=C(Cl)C=C(Cl)C=C1)N)=O |
| Synonyms | (S)-Methyl 2-amino-3-(2,4-dichlorophenyl)propanoate,
710944-02-8,
SCHEMBL2895608,
ZINC57536691,
AKOS030627119,
METHYL (2S)-2-AMINO-3-(2,4-DICHLOROPHENYL)PROPANOATE,
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| Complexity | 226 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 247.017g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 248.103g/mol |
| Monoisotopic Mass | 247.017g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 52.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
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Certificate of Analysis
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