| CAS Number | 1208077-54-6 |
| Catalog Number | AG01EQZL(AGN-PC-3H47CH) |
| Chemical Name | 1-Bromo-4-iodo-5-methoxy-2-methylbenzene |
| IUPAC Name | 1-bromo-4-iodo-5-methoxy-2-methylbenzene |
| InChI | InChI=1S/C8H8BrIO/c1-5-3-7(10)8(11-2)4-6(5)9/h3-4H,1-2H3 |
| InChI Key | XLBWCBCDDYCHRS-UHFFFAOYSA-N |
| MDL Number | MFCD12547801 |
| Molecular Formula | C8H8BrIO |
| Molecular Weight | 326.9570 |
| SMILES | BrC1=C(C=C(C(=C1)OC)I)C |
| Synonyms | 1-bromo-4-iodo-5-methoxy-2-methylbenzene,
1208077-54-6,
5-Bromo-2-iodo-4-methylanisole,
SCHEMBL16290830,
DTXSID00679255,
XLBWCBCDDYCHRS-UHFFFAOYSA-N,
ZINC40571462,
|
| 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