| CAS Number | 1017608-22-8 |
| Catalog Number | AG01BS6I |
| Chemical Name | 3-tert-butyl-4-iodophenol |
| IUPAC Name | 3-tert-butyl-4-iodophenol |
| InChI | InChI=1S/C10H13IO/c1-10(2,3)8-6-7(12)4-5-9(8)11/h4-6,12H,1-3H3 |
| InChI Key | UDBISCXKNIRQFB-UHFFFAOYSA-N |
| MDL Number | MFCD15527203 |
| Molecular Formula | C10H13IO |
| Molecular Weight | 276.1141 |
| SMILES | CC(C1=C(I)C=CC(O)=C1)(C)C |
| Synonyms | 3-(tert-butyl)-4-iodophenol,
3-TERT-BUTYL-4-IODOPHENOL,
1017608-22-8,
ZINC95709549,
AKOS034018993,
MB14753,
Z2755724067,
|
| Complexity | 150 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 276.001g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 276.117g/mol |
| Monoisotopic Mass | 276.001g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 20.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number