| CAS Number | 1249538-55-3 |
| Catalog Number | AG019ZQ2(AGN-PC-0WO2D1) |
| Chemical Name | 2-(4-Iodophenoxymethyl)pyridine |
| IUPAC Name | 2-[(4-iodophenoxy)methyl]pyridine |
| InChI | InChI=1S/C12H10INO/c13-10-4-6-12(7-5-10)15-9-11-3-1-2-8-14-11/h1-8H,9H2 |
| InChI Key | WSNQNWKSJHMVHU-UHFFFAOYSA-N |
| MDL Number | MFCD14648756 |
| Molecular Formula | C12H10INO |
| Molecular Weight | 311.1184 |
| SMILES | IC1=CC=C(OCC2=NC=CC=C2)C=C1 |
| Synonyms | 2-(4-iodophenoxymethyl)pyridine,
1249538-55-3,
2-[(4-iodophenoxy)methyl]pyridine,
ZINC42274327,
AKOS006040051,
MCULE-4171665727,
NE15814,
Z427330510,
|
| Complexity | 181 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 310.981g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 311.122g/mol |
| Monoisotopic Mass | 310.981g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 22.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number