| CAS Number | 89942-35-8 |
| Catalog Number | AG01DSRW |
| Chemical Name | 2-Hydroxy-2-(2-iodophenyl)acetic acid |
| IUPAC Name | 2-hydroxy-2-(2-iodophenyl)acetic acid |
| InChI | InChI=1S/C8H7IO3/c9-6-4-2-1-3-5(6)7(10)8(11)12/h1-4,7,10H,(H,11,12) |
| InChI Key | OVMORXHSBKENPM-UHFFFAOYSA-N |
| MDL Number | MFCD13194407 |
| Molecular Formula | C8H7IO3 |
| Molecular Weight | 278.0439 |
| SMILES | OC(C1=C(I)C=CC=C1)C(O)=O |
| Synonyms | 2-Iodomandelic acid,
2-hydroxy-2-(2-iodophenyl)acetic acid,
89942-35-8,
AKOS034099560,
|
| Complexity | 172 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 277.944g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 278.045g/mol |
| Monoisotopic Mass | 277.944g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 57.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number