| CAS Number | 1289015-17-3 |
| Catalog Number | AG01DTEE |
| Chemical Name | 3-Formyl-5-Iodobenzoic Acid |
| IUPAC Name | 3-formyl-5-iodobenzoic acid |
| InChI | InChI=1S/C8H5IO3/c9-7-2-5(4-10)1-6(3-7)8(11)12/h1-4H,(H,11,12) |
| InChI Key | KXXFEXDZTIEBMU-UHFFFAOYSA-N |
| MDL Number | MFCD22544374 |
| Molecular Formula | C8H5IO3 |
| Molecular Weight | 276.0280 |
| SMILES | O=CC1=CC(I)=CC(C(O)=O)=C1 |
| Synonyms | 3-FORMYL-5-IODOBENZOIC ACID,
1289015-17-3,
AB77715,
|
| Complexity | 193 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 275.928g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 276.029g/mol |
| Monoisotopic Mass | 275.928g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 54.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number