| CAS Number | 1335203-40-1 |
| Catalog Number | AG00HSYF(AGN-PC-0WQXMX) |
| Chemical Name | 2-Amino-5-iodo-4-methoxy-benzoic acid |
| IUPAC Name | 2-amino-5-iodo-4-methoxybenzoic acid |
| InChI | InChI=1S/C8H8INO3/c1-13-7-3-6(10)4(8(11)12)2-5(7)9/h2-3H,10H2,1H3,(H,11,12) |
| InChI Key | BONNGMLFIVTCKG-UHFFFAOYSA-N |
| MDL Number | MFCD28968035 |
| Molecular Formula | C8H8INO3 |
| Molecular Weight | 293.0585 |
| SMILES | O=C(O)C1=CC(I)=C(OC)C=C1N |
| Synonyms | 2-Amino-5-iodo-4-methoxy-benzoic acid,
1335203-40-1,
2-Amino-5-iodo-4-methoxybenzoic acid,
AKOS027427399,
|
| Complexity | 200 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 292.955g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 293.06g/mol |
| Monoisotopic Mass | 292.955g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 72.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number