| CAS Number | 1805937-22-7 |
| Catalog Number | AG01FHGH(AGN-PC-3H4B00) |
| Chemical Name | 1-Bromo-4-fluoro-5-iodo-2-methylbenzene |
| IUPAC Name | 1-bromo-4-fluoro-5-iodo-2-methylbenzene |
| InChI | InChI=1S/C7H5BrFI/c1-4-2-6(9)7(10)3-5(4)8/h2-3H,1H3 |
| InChI Key | DURJZVCWXPIRMZ-UHFFFAOYSA-N |
| MDL Number | MFCD28040490 |
| Molecular Formula | C7H5BrFI |
| Molecular Weight | 314.9215 |
| SMILES | BrC1=C(C=C(C(=C1)I)F)C |
| Synonyms | 2-Bromo-5-fluoro-4-iodotoluene,
1805937-22-7,
1-Bromo-4-fluoro-5-iodo-2-methylbenzene,
MFCD28040490,
ZINC97436572,
FCH2569937,
PC49650,
PS-10226,
|
| Complexity | 120 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 313.86g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 314.924g/mol |
| Monoisotopic Mass | 313.86g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 0A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number