| CAS Number | 2137669-41-9 |
| Catalog Number | AG01ELX0 |
| Chemical Name | 1-(chloromethyl)-4-iodo-2,5-dimethylbenzene |
| IUPAC Name | 1-(chloromethyl)-4-iodo-2,5-dimethylbenzene |
| InChI | InChI=1S/C9H10ClI/c1-6-4-9(11)7(2)3-8(6)5-10/h3-4H,5H2,1-2H3 |
| InChI Key | QIDMLDCINFFPHD-UHFFFAOYSA-N |
| MDL Number | MFCD31439546 |
| Molecular Formula | C9H10ClI |
| Molecular Weight | 280.5332 |
| SMILES | CC1=C(I)C=C(C)C(CCl)=C1 |
| Synonyms | 1-(chloromethyl)-4-iodo-2,5-dimethylbenzene,
2137669-41-9,
|
| Complexity | 127 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 279.952g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 0 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 280.533g/mol |
| Monoisotopic Mass | 279.952g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 0A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.7 |
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