| CAS Number | 1604308-75-9 |
| Catalog Number | AG01B876 |
| Chemical Name | (2R)-2-[(2-iodo-3-methylphenyl)formamido]propanoic acid |
| IUPAC Name | (2R)-2-[(2-iodo-3-methylbenzoyl)amino]propanoic acid |
| InChI | InChI=1S/C11H12INO3/c1-6-4-3-5-8(9(6)12)10(14)13-7(2)11(15)16/h3-5,7H,1-2H3,(H,13,14)(H,15,16)/t7-/m1/s1 |
| InChI Key | XMJFHZGKUSUCCG-SSDOTTSWSA-N |
| MDL Number | MFCD28246421 |
| Molecular Formula | C11H12INO3 |
| Molecular Weight | 333.1223 |
| SMILES | C[C@H](C(O)=O)NC(C1=C(I)C(C)=CC=C1)=O |
| Synonyms | (2R)-2-[(2-iodo-3-methylphenyl)formamido]propanoic acid,
1604308-75-9,
ZINC123966183,
|
| Complexity | 282 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 332.986g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 333.125g/mol |
| Monoisotopic Mass | 332.986g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 66.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number