| CAS Number | 1640342-92-2 |
| Catalog Number | AG01FE8S(AGN-PC-3H4A15) |
| Chemical Name | Methyl 4,5-difluoro-2-iodobenzoate |
| IUPAC Name | methyl 4,5-difluoro-2-iodobenzoate |
| InChI | InChI=1S/C8H5F2IO2/c1-13-8(12)4-2-5(9)6(10)3-7(4)11/h2-3H,1H3 |
| InChI Key | CSJGCNLTOKGTGI-UHFFFAOYSA-N |
| MDL Number | MFCD22490596 |
| Molecular Formula | C8H5F2IO2 |
| Molecular Weight | 298.0254 |
| SMILES | FC1=CC(=C(C(=O)OC)C=C1F)I |
| Synonyms | methyl 4,5-difluoro-2-iodobenzoate,
1640342-92-2,
ZINC238362324,
|
| Complexity | 201 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 297.93g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 298.027g/mol |
| Monoisotopic Mass | 297.93g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number