| CAS Number | 934180-29-7 |
| Catalog Number | AG01FR17(AGN-PC-3H5PD7) |
| Chemical Name | 4-tert-Butyl-1-iodo-2-methoxybenzene |
| IUPAC Name | 4-tert-butyl-1-iodo-2-methoxybenzene |
| InChI | InChI=1S/C11H15IO/c1-11(2,3)8-5-6-9(12)10(7-8)13-4/h5-7H,1-4H3 |
| InChI Key | HBKFBRMBPGIUSF-UHFFFAOYSA-N |
| MDL Number | MFCD29096512 |
| Molecular Formula | C11H15IO |
| Molecular Weight | 290.1407 |
| SMILES | COc1cc(ccc1I)C(C)(C)C |
| Synonyms | 4-tert-Butyl-1-iodo-2-methoxybenzene,
934180-29-7,
5-tert-butyl-2-iodoanisole,
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| Complexity | 162 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 290.01676g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 290.14g/mol |
| Monoisotopic Mass | 290.01676g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 9.2Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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