| CAS Number | 876516-71-1 |
| Catalog Number | AG019WAD |
| Chemical Name | 6-(Benzyloxy)pyridine-3-carbonitrile |
| IUPAC Name | 6-phenylmethoxypyridine-3-carbonitrile |
| InChI | InChI=1S/C13H10N2O/c14-8-12-6-7-13(15-9-12)16-10-11-4-2-1-3-5-11/h1-7,9H,10H2 |
| InChI Key | JCNCJLHDANUPGQ-UHFFFAOYSA-N |
| MDL Number | MFCD09939067 |
| Molecular Formula | C13H10N2O |
| Molecular Weight | 210.2313 |
| SMILES | C1=CC=C(C=C1)COC2=NC=C(C=C2)C#N |
| Synonyms | 6-(benzyloxy)pyridine-3-carbonitrile,
876516-71-1,
EN300-51220,
6-Benzyloxy-nicotinonitrile,
AC1Q4R4S,
SCHEMBL1221481,
CTK7C8249,
JCNCJLHDANUPGQ-UHFFFAOYSA-N,
FCH030592,
ZINC19479587,
AKOS000179798,
BBV-074186,
MCULE-8320664940,
NE42296,
|
| 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 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number