| CAS Number | 798552-96-2 |
| Catalog Number | AG01EXG8(AGN-PC-08Y058) |
| Chemical Name | 2,4-Dibromo-5-iodotoluene |
| IUPAC Name | 1,5-dibromo-2-iodo-4-methylbenzene |
| InChI | InChI=1S/C7H5Br2I/c1-4-2-7(10)6(9)3-5(4)8/h2-3H,1H3 |
| InChI Key | UKKKSMIDLRZZLF-UHFFFAOYSA-N |
| MDL Number | MFCD22378477 |
| Molecular Formula | C7H5Br2I |
| Molecular Weight | 375.8271 |
| SMILES | BrC1=C(C=C(C(=C1)Br)C)I |
| Synonyms | 2,4-Dibromo-5-iodotoluene,
ZINC67796565,
1-Methyl-2,4-dibromo-5-iodobenzene,
798552-96-2,
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| Complexity | 118 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 375.778g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 0 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 375.829g/mol |
| Monoisotopic Mass | 373.78g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 0A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.3 |
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Certificate of Analysis
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