| CAS Number | 2138171-77-2 |
| Catalog Number | AG01ELH8 |
| Chemical Name | 2-(4-iodo-2,5-dimethylphenyl)-1,3-dioxolane |
| IUPAC Name | 2-(4-iodo-2,5-dimethylphenyl)-1,3-dioxolane |
| InChI | InChI=1S/C11H13IO2/c1-7-6-10(12)8(2)5-9(7)11-13-3-4-14-11/h5-6,11H,3-4H2,1-2H3 |
| InChI Key | SEUGRCWQNLHVMR-UHFFFAOYSA-N |
| MDL Number | MFCD31421667 |
| Molecular Formula | C11H13IO2 |
| Molecular Weight | 304.1242 |
| SMILES | CC1=C(I)C=C(C)C(C2OCCO2)=C1 |
| Synonyms | AKOS034076396,
2-(4-iodo-2,5-dimethylphenyl)-1,3-dioxolane,
2138171-77-2,
|
| Complexity | 192 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 303.996g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 304.127g/mol |
| Monoisotopic Mass | 303.996g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 18.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
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