| CAS Number | 490039-83-3 |
| Catalog Number | AG01FR0H(AGN-PC-0NCBPN) |
| Chemical Name | 2-Iodo-4-methoxybenzonitrile |
| IUPAC Name | 2-iodo-4-methoxybenzonitrile |
| InChI | InChI=1S/C8H6INO/c1-11-7-3-2-6(5-10)8(9)4-7/h2-4H,1H3 |
| InChI Key | AZAICPHBIPICLD-UHFFFAOYSA-N |
| MDL Number | MFCD15527338 |
| Molecular Formula | C8H6INO |
| Molecular Weight | 259.0438 |
| SMILES | IC1=C(C#N)C=CC(=C1)OC |
| Synonyms | 2-IODO-4-METHOXYBENZONITRILE,
490039-83-3,
4-Methoxy-2-iodobenzonitrile,
SCHEMBL3516180,
ZINC136368709,
AS06294,
CM10164,
2-iodo-4-methoxy-benzonitrile,
CID10890595,
|
| Complexity | 174 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 258.94941g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 259.04g/mol |
| Monoisotopic Mass | 258.94941g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 33Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number