| CAS Number | 1780981-61-4 |
| Catalog Number | AG01FHF3(AGN-PC-0WOMGB) |
| Chemical Name | 5-Bromo-2-fluoro-4-methylanisole |
| IUPAC Name | 1-bromo-4-fluoro-5-methoxy-2-methylbenzene |
| InChI | InChI=1S/C8H8BrFO/c1-5-3-7(10)8(11-2)4-6(5)9/h3-4H,1-2H3 |
| InChI Key | FILALLZIJMDEDC-UHFFFAOYSA-N |
| MDL Number | MFCD28096600 |
| Molecular Formula | C8H8BrFO |
| Molecular Weight | 219.0509 |
| SMILES | BrC=1C(=CC(=C(C1)OC)F)C |
| Synonyms | 5-Bromo-2-fluoro-4-methylanisole,
1780981-61-4,
SCHEMBL19709406,
MFCD28096600,
ZINC98210761,
FCH2571835,
PC500589,
PS-11755,
|
| Complexity | 131 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 217.974g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 219.053g/mol |
| Monoisotopic Mass | 217.974g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 9.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number