| CAS Number | 1160574-47-9 |
| Catalog Number | AG01FDQE(AGN-PC-3H49PN) |
| Chemical Name | 2-Chloro-3-bromo-6-iodonitrobenzene |
| IUPAC Name | 1-bromo-2-chloro-4-iodo-3-nitrobenzene |
| InChI | InChI=1S/C6H2BrClINO2/c7-3-1-2-4(9)6(5(3)8)10(11)12/h1-2H |
| InChI Key | XETSYSSPRVSLRK-UHFFFAOYSA-N |
| MDL Number | MFCD11845902 |
| Molecular Formula | C6H2BrClINO2 |
| Molecular Weight | 362.3471 |
| SMILES | [O-][N+](=O)c1c(I)ccc(c1Cl)Br |
| Synonyms | 2-Chloro-3-bromo-6-iodonitrobenzene,
1160574-47-9,
ZINC36532737,
AKOS026671510,
|
| Complexity | 189 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 360.8g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 362.345g/mol |
| Monoisotopic Mass | 360.8g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 45.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number