| CAS Number | 1017035-13-0 |
| Catalog Number | AG01B3WT |
| Chemical Name | 4-fluoro-3-(methoxymethyl)benzonitrile |
| IUPAC Name | 4-fluoro-3-(methoxymethyl)benzonitrile |
| InChI | InChI=1S/C9H8FNO/c1-12-6-8-4-7(5-11)2-3-9(8)10/h2-4H,6H2,1H3 |
| InChI Key | OSUBFWPHMCNSDM-UHFFFAOYSA-N |
| MDL Number | MFCD09938614 |
| Molecular Formula | C9H8FNO |
| Molecular Weight | 165.1643 |
| SMILES | COCC1=C(F)C=CC(C#N)=C1 |
| Synonyms | 4-fluoro-3-(methoxymethyl)benzonitrile,
1017035-13-0,
SCHEMBL18216640,
ZINC19478455,
AKOS000181514,
Z2522881668,
|
| Complexity | 186 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 165.059g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 165.167g/mol |
| Monoisotopic Mass | 165.059g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 33A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
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Certificate of Analysis
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