| CAS Number | 1247924-89-5 |
| Catalog Number | AG019ZR1(AGN-PC-0WO1NV) |
| Chemical Name | 3-(4-IODOPHENOXYMETHYL)PYRIDINE |
| IUPAC Name | 3-[(4-iodophenoxy)methyl]pyridine |
| InChI | InChI=1S/C12H10INO/c13-11-3-5-12(6-4-11)15-9-10-2-1-7-14-8-10/h1-8H,9H2 |
| InChI Key | HGAIPYBAKIPQNV-UHFFFAOYSA-N |
| MDL Number | MFCD14647695 |
| Molecular Formula | C12H10INO |
| Molecular Weight | 311.1184 |
| SMILES | C1=CC(=CN=C1)COC2=CC=C(C=C2)I |
| Synonyms | 3-(4-iodophenoxymethyl)pyridine,
1247924-89-5,
SCHEMBL18297474,
3-[(4-iodophenoxy)methyl]pyridine,
ZINC42238426,
AKOS009167670,
MCULE-9429480899,
NE27858,
Z316288688,
|
| 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