| CAS Number | 1332591-18-0 |
| Catalog Number | AG01BHLB |
| Chemical Name | 3-iodo-4-(methoxymethoxy)benzonitrile |
| IUPAC Name | 3-iodo-4-(methoxymethoxy)benzonitrile |
| InChI | InChI=1S/C9H8INO2/c1-12-6-13-9-3-2-7(5-11)4-8(9)10/h2-4H,6H2,1H3 |
| InChI Key | SCWQQCHMCBMDLN-UHFFFAOYSA-N |
| MDL Number | MFCD20268163 |
| Molecular Formula | C9H8INO2 |
| Molecular Weight | 289.0698 |
| SMILES | COCOC1=C(I)C=C(C#N)C=C1 |
| Synonyms | 3-Iodo-4-(methoxymethoxy)benzonitrile,
1332591-18-0,
ZINC216712108,
FCH1416984,
EN300-196079,
|
| Complexity | 201 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 288.96g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 289.072g/mol |
| Monoisotopic Mass | 288.96g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 42.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
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Certificate of Analysis
Lot Number