| CAS Number | 870007-40-2 |
| Catalog Number | AG00IEB6(AGN-PC-0WG3X0) |
| Chemical Name | 4-(tert-Butyl)-2-ethoxy-1-iodobenzene |
| IUPAC Name | 4-tert-butyl-2-ethoxy-1-iodobenzene |
| InChI | InChI=1S/C12H17IO/c1-5-14-11-8-9(12(2,3)4)6-7-10(11)13/h6-8H,5H2,1-4H3 |
| InChI Key | GWLABQRIJQCIBU-UHFFFAOYSA-N |
| MDL Number | MFCD28991748 |
| Molecular Formula | C12H17IO |
| Molecular Weight | 304.1672 |
| SMILES | IC1=CC=C(C(C)(C)C)C=C1OCC |
| Synonyms | 4-(tert-Butyl)-2-ethoxy-1-iodobenzene,
870007-40-2,
SCHEMBL2009215,
GWLABQRIJQCIBU-UHFFFAOYSA-N,
MFCD28991748,
ZINC96032033,
4-tert-butyl-2-ethoxy-1-iodobenzene,
4-tert-butyl-2-ethoxy-1-iodo-benzene,
CS-0038646,
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| Complexity | 174 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 304.032g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 304.171g/mol |
| Monoisotopic Mass | 304.032g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 9.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.6 |
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Certificate of Analysis
Lot Number