| CAS Number | 1000575-02-9 |
| Catalog Number | AG01FDA9(AGN-PC-3H49OO) |
| Chemical Name | 2-Bromo-4-(difluoromethoxy)-1-iodobenzene |
| IUPAC Name | 2-bromo-4-(difluoromethoxy)-1-iodobenzene |
| InChI | InChI=1S/C7H4BrF2IO/c8-5-3-4(12-7(9)10)1-2-6(5)11/h1-3,7H |
| InChI Key | XFABSMJJAYAEDX-UHFFFAOYSA-N |
| MDL Number | MFCD09878210 |
| Molecular Formula | C7H4BrF2IO |
| Molecular Weight | 348.9113 |
| SMILES | FC(Oc1ccc(c(c1)Br)I)F |
| Synonyms | 2-Bromo-4-difluoromethoxyiodobenzene,
1000575-02-9,
2-bromo-4-(difluoromethoxy)-1-iodobenzene,
MFCD09878210,
ZINC15444643,
2-Bromo-4-(difluoromethoxy)iodobenzene,
AS-48090,
|
| Complexity | 147 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 347.846g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 348.913g/mol |
| Monoisotopic Mass | 347.846g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 9.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number