| CAS Number | 1349718-82-6 |
| Catalog Number | AG01FF1E(AGN-PC-3H4A41) |
| Chemical Name | 2-Bromo-4-chloro-5-iodotoluene |
| IUPAC Name | 1-bromo-5-chloro-4-iodo-2-methylbenzene |
| InChI | InChI=1S/C7H5BrClI/c1-4-2-7(10)6(9)3-5(4)8/h2-3H,1H3 |
| InChI Key | GYDUWILOVVPLKQ-UHFFFAOYSA-N |
| MDL Number | MFCD20233410 |
| Molecular Formula | C7H5BrClI |
| Molecular Weight | 331.3761 |
| SMILES | BrC1=C(C)C=C(C(=C1)Cl)I |
| Synonyms | 2-Bromo-4-chloro-5-iodotoluene,
1349718-82-6,
1-bromo-5-chloro-4-iodo-2-methylbenzene,
SCHEMBL15031678,
DTXSID20717840,
ZINC71792227,
AKOS027386357,
|
| Complexity | 120 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 329.831g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 0 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 331.375g/mol |
| Monoisotopic Mass | 329.831g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 0A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number