| CAS Number | 1000576-09-9 |
| Catalog Number | AG01FEZ2(AGN-PC-3H4A3K) |
| Chemical Name | 1-bromo-3-fluoro-2-iodo-5-methylbenzene |
| IUPAC Name | 1-bromo-3-fluoro-2-iodo-5-methylbenzene |
| InChI | InChI=1S/C7H5BrFI/c1-4-2-5(8)7(10)6(9)3-4/h2-3H,1H3 |
| InChI Key | ZAPXFWWYNQUHFD-UHFFFAOYSA-N |
| MDL Number | MFCD09800758 |
| Molecular Formula | C7H5BrFI |
| Molecular Weight | 314.9215 |
| SMILES | CC1=CC(Br)=C(I)C(F)=C1 |
| Synonyms | 3-Bromo-5-fluoro-4-iodotoluene,
1000576-09-9,
1-bromo-3-fluoro-2-iodo-5-methylbenzene,
SCHEMBL17252791,
MFCD09800758,
ZINC63339581,
FCH1393398,
FS-5637,
PC501643,
|
| 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