| CAS Number | 1283383-50-5 |
| Catalog Number | AG01A1DM |
| Chemical Name | 4-(4-Iodophenoxymethyl)-1,2-dimethoxybenzene |
| IUPAC Name | 4-[(4-iodophenoxy)methyl]-1,2-dimethoxybenzene |
| InChI | InChI=1S/C15H15IO3/c1-17-14-8-3-11(9-15(14)18-2)10-19-13-6-4-12(16)5-7-13/h3-9H,10H2,1-2H3 |
| InChI Key | PMCKWNINKFQNFJ-UHFFFAOYSA-N |
| MDL Number | MFCD16386196 |
| Molecular Formula | C15H15IO3 |
| Molecular Weight | 370.1823 |
| SMILES | COC1=C(OC)C=C(COC2=CC=C(I)C=C2)C=C1 |
| Synonyms | 4-(4-iodophenoxymethyl)-1,2-dimethoxybenzene,
1283383-50-5,
4-[(4-iodophenoxy)methyl]-1,2-dimethoxybenzene,
ZINC48816387,
AKOS010660113,
MCULE-6121230908,
NE49138,
A1-10792,
Z1416259796,
|
| Complexity | 254 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 370.007g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 370.186g/mol |
| Monoisotopic Mass | 370.007g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 27.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.6 |
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Certificate of Analysis
Lot Number