| CAS Number | 501432-98-0 |
| Catalog Number | AG01EW7A(AGN-PC-0NGDDN) |
| Chemical Name | 3,6-Difluoro-2-iodobenzoic acid |
| IUPAC Name | 3,6-difluoro-2-iodobenzoic acid |
| InChI | InChI=1S/C7H3F2IO2/c8-3-1-2-4(9)6(10)5(3)7(11)12/h1-2H,(H,11,12) |
| InChI Key | JIHIYFRBPDXDFV-UHFFFAOYSA-N |
| MDL Number | MFCD12922619 |
| Molecular Formula | C7H3F2IO2 |
| Molecular Weight | 283.9988 |
| SMILES | C1C=C(F)C(I)=C(C(O)=O)C=1F |
| Synonyms | 3,6-Difluoro-2-iodobenzoic acid,
501432-98-0,
2-Iodo-3,6-difluorobenzoic acid,
SCHEMBL16277310,
ZINC38285932,
AKOS024263902,
FS-6274,
3,6-difluoro-2-iodo-benzoic Acid,
CID11129794,
|
| Complexity | 188 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 283.915g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 284g/mol |
| Monoisotopic Mass | 283.915g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number