| CAS Number | 791137-23-0 |
| Catalog Number | AG01BU6P |
| Chemical Name | 3-bromo-4-iodobenzamide |
| IUPAC Name | 3-bromo-4-iodobenzamide |
| InChI | InChI=1S/C7H5BrINO/c8-5-3-4(7(10)11)1-2-6(5)9/h1-3H,(H2,10,11) |
| InChI Key | JFHQUNCUTPWALA-UHFFFAOYSA-N |
| MDL Number | MFCD18391625 |
| Molecular Formula | C7H5BrINO |
| Molecular Weight | 325.9292 |
| SMILES | NC(C1=CC(Br)=C(I)C=C1)=O |
| Synonyms | 3-bromo-4-iodobenzamide,
791137-23-0,
ZINC42016889,
AKOS034274458,
MCULE-3053649918,
Z394874930,
|
| Complexity | 165 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 324.86g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 325.931g/mol |
| Monoisotopic Mass | 324.86g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 43.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number