| CAS Number | 1805224-20-7 |
| Catalog Number | AG01C316 |
| Chemical Name | 1-Chloro-2,4-dimethoxy-6-iodobenzene |
| IUPAC Name | 2-chloro-1-iodo-3,5-dimethoxybenzene |
| InChI | InChI=1S/C8H8ClIO2/c1-11-5-3-6(10)8(9)7(4-5)12-2/h3-4H,1-2H3 |
| InChI Key | ICEWXILSSRWYQR-UHFFFAOYSA-N |
| MDL Number | MFCD28751450 |
| Molecular Formula | C8H8ClIO2 |
| Molecular Weight | 298.5054 |
| SMILES | COC1=CC(OC)=C(Cl)C(I)=C1 |
| Synonyms | 1805224-20-7,
1-Chloro-2,4-dimethoxy-6-iodobenzene,
2-chloro-1-iodo-3,5-dimethoxybenzene,
AKOS027273591,
ZINC307473753,
Z2309759253,
|
| Complexity | 145 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 297.926g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 298.504g/mol |
| Monoisotopic Mass | 297.926g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 18.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
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Certificate of Analysis
Lot Number