| CAS Number | 1000577-88-7 |
| Catalog Number | AG01FAT5(AGN-PC-3H49GN) |
| Chemical Name | 2-Amino-5-bromo-6-fluoro-3-iodobenzonitrile |
| IUPAC Name | 2-amino-5-bromo-6-fluoro-3-iodobenzonitrile |
| InChI | InChI=1S/C7H3BrFIN2/c8-4-1-5(10)7(12)3(2-11)6(4)9/h1H,12H2 |
| InChI Key | DTXQKEMULUBLLM-UHFFFAOYSA-N |
| MDL Number | MFCD09800815 |
| Molecular Formula | C7H3BrFIN2 |
| Molecular Weight | 340.919 |
| SMILES | N#Cc1c(F)c(Br)cc(c1N)I |
| Synonyms | 2-Amino-5-bromo-6-fluoro-3-iodobenzonitrile,
1000577-88-7,
ZINC15443841,
|
| Complexity | 217 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 339.851g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 340.922g/mol |
| Monoisotopic Mass | 339.851g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 49.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number