| CAS Number | 911832-39-8 |
| Catalog Number | AG01BXKE |
| Chemical Name | 2-[(pyridin-4-yl)methoxy]benzonitrile |
| IUPAC Name | 2-(pyridin-4-ylmethoxy)benzonitrile |
| InChI | InChI=1S/C13H10N2O/c14-9-12-3-1-2-4-13(12)16-10-11-5-7-15-8-6-11/h1-8H,10H2 |
| InChI Key | AYLLRHVCUUUHSF-UHFFFAOYSA-N |
| MDL Number | MFCD09945312 |
| Molecular Formula | C13H10N2O |
| Molecular Weight | 210.2313 |
| SMILES | N#CC1=C(OCC2=CC=NC=C2)C=CC=C1 |
| Synonyms | 2-[(pyridin-4-yl)methoxy]benzonitrile,
911832-39-8,
SCHEMBL8808187,
ZINC19505838,
AKOS000189731,
Z426527256,
|
| Complexity | 252 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 210.079g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 210.236g/mol |
| Monoisotopic Mass | 210.079g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 45.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
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