| CAS Number | 60803-25-0 |
| Catalog Number | AG00EJS1(AGN-PC-0N0Q3Q) |
| Chemical Name | 2-(Tert-butyl)-4-iodophenol |
| IUPAC Name | 2-tert-butyl-4-iodophenol |
| InChI | InChI=1S/C10H13IO/c1-10(2,3)8-6-7(11)4-5-9(8)12/h4-6,12H,1-3H3 |
| InChI Key | RIKUIHNAPBRUOR-UHFFFAOYSA-N |
| MDL Number | MFCD16996826 |
| Molecular Formula | C10H13IO |
| Molecular Weight | 276.1141 |
| SMILES | CC(C1=C(O)C=CC(I)=C1)(C)C |
| Synonyms | 2-TERT-BUTYL-4-IODOPHENOL,
60803-25-0,
2-(tert-butyl)-4-iodophenol,
Phenol, 2-(1,1-dimethylethyl)-4-iodo-,
SCHEMBL1530439,
CTK2E9050,
DTXSID40436788,
RIKUIHNAPBRUOR-UHFFFAOYSA-N,
ZINC38387281,
AKOS030530422,
MB21704,
4-iodo-2-tert-butyl-phenol,
CID10214726,
|
| 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
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number