| CAS Number | 1017608-26-2 |
| Catalog Number | AG01E7EW |
| Chemical Name | 5-tert-butyl-2,4-diiodophenol |
| IUPAC Name | 5-tert-butyl-2,4-diiodophenol |
| InChI | InChI=1S/C10H12I2O/c1-10(2,3)6-4-9(13)8(12)5-7(6)11/h4-5,13H,1-3H3 |
| InChI Key | SVUMGUYTRBJEOM-UHFFFAOYSA-N |
| MDL Number | MFCD30537749 |
| Molecular Formula | C10H12I2O |
| Molecular Weight | 402.0106 |
| SMILES | CC(C1=C(I)C=C(I)C(O)=C1)(C)C |
| Synonyms | 5-tert-butyl-2,4-diiodophenol,
2,4-Diiodo-5-tert-butylphenol,
AKOS034012203,
ZINC584880063,
Z2752201071,
1017608-26-2,
|
| Complexity | 176 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 401.898g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 402.014g/mol |
| Monoisotopic Mass | 401.898g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 20.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number