| CAS Number | 884188-41-4 |
| Catalog Number | AG00IF38(AGN-PC-0WRA4F) |
| Chemical Name | 1-[(4-Chlorophenyl)methoxy]-4-iodobenzene |
| IUPAC Name | 1-chloro-4-[(4-iodophenoxy)methyl]benzene |
| InChI | InChI=1S/C13H10ClIO/c14-11-3-1-10(2-4-11)9-16-13-7-5-12(15)6-8-13/h1-8H,9H2 |
| InChI Key | XSCFEVMHPPUWIC-UHFFFAOYSA-N |
| MDL Number | MFCD03881317 |
| Molecular Formula | C13H10ClIO |
| Molecular Weight | 344.5754 |
| SMILES | Clc1ccc(cc1)COc1ccc(cc1)I |
| Synonyms | 1-[(4-Chlorophenyl)methoxy]-4-iodobenzene,
884188-41-4,
ZINC70130651,
AKOS008912395,
1-chloro-4-(4-iodophenoxymethyl)benzene,
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| Complexity | 196 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 343.946g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 344.576g/mol |
| Monoisotopic Mass | 343.946g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 9.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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