| CAS Number | 1284804-94-9 |
| Catalog Number | AG00HRTD(AGN-PC-0WRA4I) |
| Chemical Name | 2,4-Dichloro-1-(4-iodophenoxymethyl)benzene |
| IUPAC Name | 2,4-dichloro-1-[(4-iodophenoxy)methyl]benzene |
| InChI | InChI=1S/C13H9Cl2IO/c14-10-2-1-9(13(15)7-10)8-17-12-5-3-11(16)4-6-12/h1-7H,8H2 |
| InChI Key | WHQSHHWVUQSSLU-UHFFFAOYSA-N |
| MDL Number | MFCD19444469 |
| Molecular Formula | C13H9Cl2IO |
| Molecular Weight | 379.0204 |
| SMILES | ClC1=CC(Cl)=C(COC2=CC=C(I)C=C2)C=C1 |
| Synonyms | 2,4-dichloro-1-(4-iodophenoxymethyl)benzene,
1284804-94-9,
ZINC70133784,
AKOS008912406,
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| Complexity | 232 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 377.908g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 379.018g/mol |
| Monoisotopic Mass | 377.908g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 9.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 5.6 |
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Certificate of Analysis
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