1-(1,1-Dimethylethyl)-4-iodo-2,5-dimethoxy-benzene - CAS 91562-20-8
Catalog: |
BB067001 |
Product Name: |
1-(1,1-Dimethylethyl)-4-iodo-2,5-dimethoxy-benzene |
CAS: |
91562-20-8 |
Synonyms: |
1-tert-Butyl-4-iodo-2,5-dimethoxy-benzene; 2,5-Dimethoxy-4-tert-butylphenyl Iodide |
IUPAC Name: | 1-tert-butyl-4-iodo-2,5-dimethoxybenzene |
Description: | 1-(1,1-Dimethylethyl)-4-iodo-2,5-dimethoxy-benzene is an intermediate used to prepare heterocyclic tyrosine kinase inhibitors. |
Molecular Weight: | 320.17 |
Molecular Formula: | C12H17IO2 |
Canonical SMILES: | CC(C)(C)C1=CC(=C(C=C1OC)I)OC |
InChI: | InChI=1S/C12H17IO2/c1-12(2,3)8-6-11(15-5)9(13)7-10(8)14-4/h6-7H,1-5H3 |
InChI Key: | NEHMRXFLXJZUNB-UHFFFAOYSA-N |
References: | Spada, A., et al. PCT Int. Appl., WO 9220642 A1 19921126 (1992). |
Complexity: | 200 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 320.02733 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 320.02733 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 18.5Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.2 |
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