| CAS Number | 1000577-44-5 |
| Catalog Number | AG01FE12(AGN-PC-3H4A0L) |
| Chemical Name | 2-Amino-5-bromo-3-iodobenzonitrile |
| IUPAC Name | 2-amino-5-bromo-3-iodobenzonitrile |
| InChI | InChI=1S/C7H4BrIN2/c8-5-1-4(3-10)7(11)6(9)2-5/h1-2H,11H2 |
| InChI Key | WAAPUHOUXZSDPT-UHFFFAOYSA-N |
| MDL Number | MFCD09800801 |
| Molecular Formula | C7H4BrIN2 |
| Molecular Weight | 322.9285 |
| SMILES | C1=C(C#N)C(=C(C=C1Br)I)N |
| Synonyms | 2-Amino-5-bromo-3-iodobenzonitrile,
1000577-44-5,
ZINC15443813,
AKOS027385732,
FS-5063,
|
| Complexity | 188 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 321.86g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 322.931g/mol |
| Monoisotopic Mass | 321.86g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 49.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number