| CAS Number | 1044065-94-2 |
| Catalog Number | AG019ZYY |
| Chemical Name | 1-iodo-4-(2-phenylethoxy)benzene |
| IUPAC Name | 1-iodo-4-(2-phenylethoxy)benzene |
| InChI | InChI=1S/C14H13IO/c15-13-6-8-14(9-7-13)16-11-10-12-4-2-1-3-5-12/h1-9H,10-11H2 |
| InChI Key | AVKVNUGAJHOWKC-UHFFFAOYSA-N |
| MDL Number | MFCD18360945 |
| Molecular Formula | C14H13IO |
| Molecular Weight | 324.1569 |
| SMILES | IC1=CC=C(OCCC2=CC=CC=C2)C=C1 |
| Synonyms | 1-iodo-4-(2-phenylethoxy)benzene,
1044065-94-2,
ZINC71136765,
AKOS012840030,
MCULE-1239455183,
NE29823,
Z1421529529,
|
| Complexity | 181 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 324.001g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 324.161g/mol |
| Monoisotopic Mass | 324.001g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 9.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number