| CAS Number | 113850-77-4 |
| Catalog Number | AG0096CG(AGN-PC-0NYAYS) |
| Chemical Name | Methyl (2S)-2-amino-3-(4-iodophenyl)propanoate |
| IUPAC Name | methyl (2S)-2-amino-3-(4-iodophenyl)propanoate |
| InChI | InChI=1S/C10H12INO2/c1-14-10(13)9(12)6-7-2-4-8(11)5-3-7/h2-5,9H,6,12H2,1H3/t9-/m0/s1 |
| InChI Key | FFJCJOBIONHKJL-VIFPVBQESA-N |
| MDL Number | MFCD08058398 |
| Molecular Formula | C10H12INO2 |
| Molecular Weight | 305.1123 |
| SMILES | COC([C@H](CC1=CC=C(I)C=C1)N)=O |
| Synonyms | 113850-77-4,
(S)-methyl 2-amino-3-(4-iodophenyl)propanoate,
L-Phenylalanine, 4-iodo-, methyl ester,
Methyl (2S)-2-amino-3-(4-iodophenyl)propanoate,
SCHEMBL2059162,
FFJCJOBIONHKJL-VIFPVBQESA-N,
4-Iodo-L-phenylalanine methyl ester,
ZINC34173492,
AKOS017343558,
DB-010006,
FT-0773287,
(S)-Methyl2-amino-3-(4-iodophenyl)propanoate,
(S)-2-Amino-3-(4-iodophenyl)propanoic acid methyl ester,
CID10569269,
|
| Complexity | 191 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 304.991g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 305.115g/mol |
| Monoisotopic Mass | 304.991g/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 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number