| CAS Number | 1520299-34-6 |
| Catalog Number | AG01FEHL(AGN-PC-3H4A21) |
| Chemical Name | Ethyl 2,6-difluoro-3-iodobenzoate |
| IUPAC Name | ethyl 2,6-difluoro-3-iodobenzoate |
| InChI | InChI=1S/C9H7F2IO2/c1-2-14-9(13)7-5(10)3-4-6(12)8(7)11/h3-4H,2H2,1H3 |
| InChI Key | PDMWGNIGTCWESW-UHFFFAOYSA-N |
| MDL Number | MFCD24107057 |
| Molecular Formula | C9H7F2IO2 |
| Molecular Weight | 312.0520 |
| SMILES | C1(C(F)=CC=C(I)C=1F)C(=O)OCC |
| Synonyms | Ethyl 2,6-difluoro-3-iodobenzoate,
1520299-34-6,
AKOS020006840,
ZINC160774391,
|
| Complexity | 213 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 311.946g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 312.054g/mol |
| Monoisotopic Mass | 311.946g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number