| CAS Number | 1000578-22-2 |
| Catalog Number | AG019CPI(AGN-PC-0WBRXI) |
| Chemical Name | 1,3-dibromo-2-iodo-5-(trifluoromethoxy)benzene |
| IUPAC Name | 1,3-dibromo-2-iodo-5-(trifluoromethoxy)benzene |
| InChI | InChI=1S/C7H2Br2F3IO/c8-4-1-3(14-7(10,11)12)2-5(9)6(4)13/h1-2H |
| InChI Key | RDKDPUDNGOSEMG-UHFFFAOYSA-N |
| MDL Number | MFCD09878139 |
| Molecular Formula | C7H2Br2F3IO |
| Molecular Weight | 445.7979 |
| SMILES | C1(Br)C(=C(C=C(C=1)OC(F)(F)F)Br)I |
| Synonyms | 2,6-Dibromo-4-(trifluoromethoxy)iodobenzene,
1000578-22-2,
1,3-dibromo-2-iodo-5-(trifluoromethoxy)benzene,
ZINC15444500,
AKOS025146936,
|
| Complexity | 190 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 445.745g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 445.8g/mol |
| Monoisotopic Mass | 443.747g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 9.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 5.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number