| CAS Number | 677777-56-9 |
| Catalog Number | AG01EWW4(AGN-PC-07XRMX) |
| Chemical Name | 2-Bromo-4-fluoro-5-iodotoluene |
| IUPAC Name | 1-bromo-5-fluoro-4-iodo-2-methylbenzene |
| InChI | InChI=1S/C7H5BrFI/c1-4-2-7(10)6(9)3-5(4)8/h2-3H,1H3 |
| InChI Key | ISLHUHGOROORJE-UHFFFAOYSA-N |
| MDL Number | MFCD09800683 |
| Molecular Formula | C7H5BrFI |
| Molecular Weight | 314.9215 |
| SMILES | C1(F)=CC(Br)=C(C=C1I)C |
| Synonyms | 2-Bromo-4-fluoro-5-iodotoluene,
677777-56-9,
1-Bromo-5-fluoro-4-iodo-2-methylbenzene,
SCHEMBL10193923,
DTXSID40673777,
ZINC63360953,
FS-5396,
|
| 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