| CAS Number | 111721-76-7 |
| Catalog Number | AG01FHG3(AGN-PC-3H4API) |
| Chemical Name | 2-Bromo-3-iodoaniline |
| IUPAC Name | 2-bromo-3-iodoaniline |
| InChI | InChI=1S/C6H5BrIN/c7-6-4(8)2-1-3-5(6)9/h1-3H,9H2 |
| InChI Key | UORDTJZWHNXDDO-UHFFFAOYSA-N |
| MDL Number | MFCD18391614 |
| Molecular Formula | C6H5BrIN |
| Molecular Weight | 297.9191 |
| SMILES | Brc1c(N)cccc1I |
| Synonyms | 2-BROMO-3-IODOANILINE,
111721-76-7,
ZX-AT016070,
MFCD18391614,
ZINC97441981,
FCH1369938,
OR46249,
PS-11906,
|
| Complexity | 99.1 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 296.865g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 297.921g/mol |
| Monoisotopic Mass | 296.865g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 26A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number