| CAS Number | 79365-16-5 |
| Catalog Number | AG00ID16(AGN-PC-0NK40N) |
| Chemical Name | 2-(2-Methoxyphenoxy)benzonitrile |
| IUPAC Name | 2-(2-methoxyphenoxy)benzonitrile |
| InChI | InChI=1S/C14H11NO2/c1-16-13-8-4-5-9-14(13)17-12-7-3-2-6-11(12)10-15/h2-9H,1H3 |
| InChI Key | INSAUYYJGYIOIP-UHFFFAOYSA-N |
| MDL Number | MFCD11155959 |
| Molecular Formula | C14H11NO2 |
| Molecular Weight | 225.2426 |
| SMILES | COc1ccccc1Oc1ccccc1C#N |
| Synonyms | 2-(2-Methoxyphenoxy)benzonitrile,
79365-16-5,
ZINC20077522,
Benzonitrile, 2-(2-methoxyphenoxy)-,
AKOS000261532,
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| Complexity | 283 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 225.079g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 225.247g/mol |
| Monoisotopic Mass | 225.079g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 42.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
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Certificate of Analysis
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