| CAS Number | 1016842-52-6 |
| Catalog Number | AG01B555 |
| Chemical Name | 4-fluoro-3-[(2-methoxyethoxy)methyl]benzonitrile |
| IUPAC Name | 4-fluoro-3-(2-methoxyethoxymethyl)benzonitrile |
| InChI | InChI=1S/C11H12FNO2/c1-14-4-5-15-8-10-6-9(7-13)2-3-11(10)12/h2-3,6H,4-5,8H2,1H3 |
| InChI Key | YBVZKUUYWNLNJF-UHFFFAOYSA-N |
| MDL Number | MFCD09949224 |
| Molecular Formula | C11H12FNO2 |
| Molecular Weight | 209.2169 |
| SMILES | COCCOCC1=C(F)C=CC(C#N)=C1 |
| Synonyms | 4-fluoro-3-[(2-methoxyethoxy)methyl]benzonitrile,
1016842-52-6,
ZINC19516485,
AKOS000192386,
EN300-299326,
Z2511740621,
|
| Complexity | 226 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 209.085g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 209.22g/mol |
| Monoisotopic Mass | 209.085g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 42.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
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