| CAS Number | 677777-44-5 |
| Catalog Number | AG00FCCY(AGN-PC-08VL3G) |
| Chemical Name | 4-Iodo-2-methoxybenzonitrile |
| IUPAC Name | 5-iodo-2-methoxybenzonitrile |
| InChI | InChI=1S/C8H6INO/c1-11-8-3-2-7(9)4-6(8)5-10/h2-4H,1H3 |
| InChI Key | LKHLIOQZTDZHJU-UHFFFAOYSA-N |
| MDL Number | MFCD02683860 |
| Molecular Formula | C8H6INO |
| Molecular Weight | 259.0438 |
| SMILES | IC1=CC(=C(C#N)C=C1)OC |
| Synonyms | 5-Iodo-2-methoxybenzonitrile,
933672-32-3,
5-Iodo-2-methoxy-benzonitrile,
677777-44-5,
PubChem8166,
ACMC-1BHD6,
SCHEMBL3979962,
CTK8C5824,
LKHLIOQZTDZHJU-UHFFFAOYSA-N,
ZINC2583733,
5-Iodo-2-methoxybenzonitrile, 97%,
AKOS015890172,
AS03755,
FCH1328117,
OR400047,
SC-54091,
RT-010343,
FT-0654466,
Z-9116,
I01-5489,
|
| Complexity | 174 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 258.949g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 259.046g/mol |
| Monoisotopic Mass | 258.949g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 33A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number