| CAS Number | 1261498-04-7 |
| Catalog Number | AG01FH9G(AGN-PC-3H4AN5) |
| Chemical Name | 2-Bromo-3-iodobenzonitrile |
| IUPAC Name | 2-bromo-3-iodobenzonitrile |
| InChI | InChI=1S/C7H3BrIN/c8-7-5(4-10)2-1-3-6(7)9/h1-3H |
| InChI Key | NCLLERKBEKFBPX-UHFFFAOYSA-N |
| MDL Number | MFCD18391642 |
| Molecular Formula | C7H3BrIN |
| Molecular Weight | 307.9139 |
| SMILES | BrC1=C(C#N)C=CC=C1I |
| Synonyms | 2-bromo-3-iodobenzonitrile,
1261498-04-7,
MFCD18391642,
ZINC203450907,
FCH1369964,
OR400744,
PS-11835,
N/A,
|
| Complexity | 162 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 306.849g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 307.916g/mol |
| Monoisotopic Mass | 306.849g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 23.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number