| CAS Number | 1300741-56-3 |
| Catalog Number | AG01C31F |
| Chemical Name | 2-fluoro-5-iodo-4-methylbenzoic acid |
| IUPAC Name | 2-fluoro-5-iodo-4-methylbenzoic acid |
| InChI | InChI=1S/C8H6FIO2/c1-4-2-6(9)5(8(11)12)3-7(4)10/h2-3H,1H3,(H,11,12) |
| InChI Key | JPJKIRXNEVXOMT-UHFFFAOYSA-N |
| MDL Number | MFCD24107264 |
| Molecular Formula | C8H6FIO2 |
| Molecular Weight | 280.0349 |
| SMILES | O=C(O)C1=CC(I)=C(C)C=C1F |
| Synonyms | 2-fluoro-5-iodo-4-methylbenzoic acid,
1300741-56-3,
SCHEMBL17880615,
AKOS020008203,
ZINC162575626,
|
| Complexity | 186 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 279.94g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 280.037g/mol |
| Monoisotopic Mass | 279.94g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number