| CAS Number | 1823403-07-1 |
| Catalog Number | AG01FF3D(AGN-PC-3H4A4K) |
| Chemical Name | 1-Bromo-4-iodo-3-methoxy-2-methylbenzene
|
| IUPAC Name | 1-bromo-4-iodo-3-methoxy-2-methylbenzene |
| InChI | InChI=1S/C8H8BrIO/c1-5-6(9)3-4-7(10)8(5)11-2/h3-4H,1-2H3 |
| InChI Key | CBMISVGFEJJDHV-UHFFFAOYSA-N |
| MDL Number | MFCD28291785 |
| Molecular Formula | C8H8BrIO |
| Molecular Weight | 326.9570 |
| SMILES | BrC=1C(=C(C(=CC1)I)OC)C |
| Synonyms | 3-Bromo-6-iodo-2-methylanisole,
1823403-07-1,
ZINC263620156,
|
| Complexity | 131 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 325.88g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 326.959g/mol |
| Monoisotopic Mass | 325.88g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 9.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number