Methyl 4-Iodophenylacetate - CAS 63349-52-0
Catalog: |
BB032110 |
Product Name: |
Methyl 4-Iodophenylacetate |
CAS: |
63349-52-0 |
Synonyms: |
2-(4-iodophenyl)acetic acid methyl ester; methyl 2-(4-iodophenyl)acetate |
IUPAC Name: | methyl 2-(4-iodophenyl)acetate |
Description: | Methyl 4-Iodophenylacetate (CAS# 63349-52-0 ) is a useful research chemical. |
Molecular Weight: | 276.07 |
Molecular Formula: | C9H9IO2 |
Canonical SMILES: | COC(=O)CC1=CC=C(C=C1)I |
InChI: | InChI=1S/C9H9IO2/c1-12-9(11)6-7-2-4-8(10)5-3-7/h2-5H,6H2,1H3 |
InChI Key: | IYIVBGQBEMSRLO-UHFFFAOYSA-N |
LogP: | 2.00670 |
Publication Number | Title | Priority Date |
AU-2015226914-A1 | Iodine(III)-mediated radiofluorination | 20140307 |
CA-2941857-A1 | An intermediate iodonium ylide and its use in an iodine(iii)-mediated radiofluorination process | 20140307 |
EP-3114117-A1 | Iodine(iii)-mediated radiofluorination | 20140307 |
EP-3114117-B1 | Iodine(iii)-mediated radiofluorination | 20140307 |
JP-2017529312-A | Radiofluorination mediated by iodine (III) | 20140307 |
Complexity: | 151 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 275.96473 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 275.96473 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 26.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.5 |
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