| CAS Number | 103616-88-2 |
| Catalog Number | AG008XE3(AGN-PC-0NVLF8) |
| Chemical Name | (R)-Methyl 2-amino-3-(2-chlorophenyl)propanoate |
| IUPAC Name | methyl (2R)-2-amino-3-(2-chlorophenyl)propanoate |
| InChI | InChI=1S/C10H12ClNO2/c1-14-10(13)9(12)6-7-4-2-3-5-8(7)11/h2-5,9H,6,12H2,1H3/t9-/m1/s1 |
| InChI Key | BSFAOUNWBLVIKZ-SECBINFHSA-N |
| MDL Number | MFCD08058197 |
| Molecular Formula | C10H12ClNO2 |
| Molecular Weight | 213.6608 |
| SMILES | N[C@@H](C(=O)OC)CC1=C(C=CC=C1)Cl |
| Synonyms | 103616-88-2,
Methyl (2R)-2-amino-3-(2-chlorophenyl)propanoate,
(R)-Methyl 2-amino-3-(2-chlorophenyl)propanoate,
SCHEMBL4595262,
MFCD08058197,
ZINC57496986,
AKOS027430544,
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| Complexity | 199 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 213.056g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 213.661g/mol |
| Monoisotopic Mass | 213.056g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 52.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
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Certificate of Analysis
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