| CAS Number | 860584-68-5 |
| Catalog Number | AG01FL59(AGN-PC-3H4B1N) |
| Chemical Name | 2-Bromo-6-iodoanisole |
| IUPAC Name | 1-bromo-3-iodo-2-methoxybenzene |
| InChI | InChI=1S/C7H6BrIO/c1-10-7-5(8)3-2-4-6(7)9/h2-4H,1H3 |
| InChI Key | VVCVWPDMUFPVGA-UHFFFAOYSA-N |
| MDL Number | MFCD18391617 |
| Molecular Formula | C7H6BrIO |
| Molecular Weight | 312.9304 |
| SMILES | COc1c(Br)cccc1I |
| Synonyms | 2-BROMO-6-IODOANISOLE,
1-Bromo-3-iodo-2-methoxybenzene,
860584-68-5,
2-methoxy iodo-bromobenzene,
ZX-AT013979,
MFCD18391617,
ZINC91251990,
FCH1369941,
OR45123,
PS-11872,
|
| Complexity | 110 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 311.865g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 312.932g/mol |
| Monoisotopic Mass | 311.865g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 9.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number