| CAS Number | 66195-38-8 |
| Catalog Number | AG00FGP9(AGN-PC-0JJFTK) |
| Chemical Name | 2-Iodo-6-methoxy-benzonitrile |
| IUPAC Name | 2-iodo-6-methoxybenzonitrile |
| InChI | InChI=1S/C8H6INO/c1-11-8-4-2-3-7(9)6(8)5-10/h2-4H,1H3 |
| InChI Key | JULARJRMSOOVTP-UHFFFAOYSA-N |
| MDL Number | MFCD18905184 |
| Molecular Formula | C8H6INO |
| Molecular Weight | 259.0438 |
| SMILES | N#CC1=C(OC)C=CC=C1I |
| Synonyms | 2-Iodo-6-methoxybenzonitrile,
66195-38-8,
2-iodo-6-methoxy-benzonitrile,
DTXSID60856767,
MFCD18905184,
ZINC95630358,
FCH1347276,
QC-8540,
OR400161,
AB0097310,
AJ-133148,
AX8259378,
Z-9168,
|
| 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
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number