| CAS Number | 473567-59-8 |
| Catalog Number | AG00DFQ0(AGN-PC-0OAKTU) |
| Chemical Name | Methyl (2S)-2-amino-3-(3,5-difluorophenyl)propanoate |
| IUPAC Name | methyl (2S)-2-amino-3-(3,5-difluorophenyl)propanoate |
| InChI | InChI=1S/C10H11F2NO2/c1-15-10(14)9(13)4-6-2-7(11)5-8(12)3-6/h2-3,5,9H,4,13H2,1H3/t9-/m0/s1 |
| InChI Key | NSKNSUFLKKGHKU-VIFPVBQESA-N |
| MDL Number | MFCD08058345 |
| Molecular Formula | C10H11F2NO2 |
| Molecular Weight | 215.1966 |
| SMILES | COC([C@H](CC1=CC(F)=CC(F)=C1)N)=O |
| Synonyms | Methyl (2S)-2-amino-3-(3,5-difluorophenyl)propanoate,
473567-59-8,
(S)-Methyl 2-amino-3-(3,5-difluorophenyl)propanoate,
SCHEMBL3967937,
NSKNSUFLKKGHKU-VIFPVBQESA-N,
ZINC34027695,
AKOS030627120,
CID9920793,
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| Complexity | 216 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 215.076g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 215.2g/mol |
| Monoisotopic Mass | 215.076g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 52.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
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Certificate of Analysis
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