| CAS Number | 860435-39-8 |
| Catalog Number | AG00IDVH |
| Chemical Name | 3-Bromo-4-iodo-tert-butylbenzene |
| IUPAC Name | 2-bromo-4-tert-butyl-1-iodobenzene |
| InChI | InChI=1S/C10H12BrI/c1-10(2,3)7-4-5-9(12)8(11)6-7/h4-6H,1-3H3 |
| InChI Key | XNKAPUCNAVBLOL-UHFFFAOYSA-N |
| MDL Number | MFCD09878146 |
| Molecular Formula | C10H12BrI |
| Molecular Weight | 339.0108 |
| SMILES | C(C)(C)(C)c1cc(Br)c(cc1)I |
| Synonyms | 3-Bromo-4-iodo-tert-butylbenzene,
860435-39-8,
2-Bromo-4-(tert-butyl)-1-iodobenzene,
2-bromo-4-tert-butyl-1-iodobenzene,
SCHEMBL12690251,
ZINC63339625,
2-Bromo-4-tert-butyl-1-iodo-benzene,
FS-5531,
DA-02531,
FT-0759572,
|
| Complexity | 150 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 337.917g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 0 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 339.014g/mol |
| Monoisotopic Mass | 337.917g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 0A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number