| CAS Number | 172368-00-2 |
| Catalog Number | AG01EUD2(AGN-PC-079VH9) |
| Chemical Name | 1,3-Dibromo-5-(1,1-dimethylethyl)-2-iodobenzene |
| IUPAC Name | 1,3-dibromo-5-tert-butyl-2-iodobenzene |
| InChI | InChI=1S/C10H11Br2I/c1-10(2,3)6-4-7(11)9(13)8(12)5-6/h4-5H,1-3H3 |
| InChI Key | CYKKRWMEGQTKIG-UHFFFAOYSA-N |
| MDL Number | MFCD09878147 |
| Molecular Formula | C10H11Br2I |
| Molecular Weight | 417.9068 |
| SMILES | c1(c(cc(cc1Br)C(C)(C)C)Br)I |
| Synonyms | 3,5-Dibromo-4-iodo-tert-butylbenzene,
172368-00-2,
1,3-Dibromo-5-(tert-butyl)-2-iodobenzene,
1,3-Dibromo-5-(1,1-dimethylethyl)-2-iodobenzene,
ZINC63339626,
AKOS027385750,
FS-5826,
1-tert-Butyl-3,5-dibromo-4-iodobenzene,
|
| Complexity | 164 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 417.825g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 0 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 417.91g/mol |
| Monoisotopic Mass | 415.827g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 0A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 5.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number