| CAS Number | 1000577-89-8 |
| Catalog Number | AG01FDOK(AGN-PC-3H49PL) |
| Chemical Name | 1,3-Dibromo-2,5-difluoro-4-iodobenzene |
| IUPAC Name | 1,3-dibromo-2,5-difluoro-4-iodobenzene |
| InChI | InChI=1S/C6HBr2F2I/c7-2-1-3(9)6(11)4(8)5(2)10/h1H |
| InChI Key | NXWFCDNFLFJFCO-UHFFFAOYSA-N |
| MDL Number | MFCD09878119 |
| Molecular Formula | C6HBr2F2I |
| Molecular Weight | 397.7814 |
| SMILES | Brc1cc(F)c(c(c1F)Br)I |
| Synonyms | 2,4-Dibromo-3,6-difluoroiodobenzene,
1000577-89-8,
1,3-dibromo-2,5-difluoro-4-iodobenzene,
SCHEMBL12483572,
ZINC63339613,
FS-5400,
|
| Complexity | 147 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 397.744g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 397.783g/mol |
| Monoisotopic Mass | 395.746g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 0A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number