| CAS Number | 75580-03-9 |
| Catalog Number | AG01C53S(AGN-PC-02SD2Y) |
| Chemical Name | 5-Phenoxypyridine-2-carbonitrile |
| IUPAC Name | 5-phenoxypyridine-2-carbonitrile |
| InChI | InChI=1S/C12H8N2O/c13-8-10-6-7-12(9-14-10)15-11-4-2-1-3-5-11/h1-7,9H |
| InChI Key | UQLUIDMQSVTQBW-UHFFFAOYSA-N |
| MDL Number | MFCD23664546 |
| Molecular Formula | C12H8N2O |
| Molecular Weight | 196.2047 |
| SMILES | N#CC1=NC=C(OC2=CC=CC=C2)C=C1 |
| Synonyms | 5-Phenoxypicolinonitrile,
75580-03-9,
5-phenoxypyridine-2-carbonitrile,
SCHEMBL1681065,
5-phenoxy-2-pyridinecarbonitrile,
UQLUIDMQSVTQBW-UHFFFAOYSA-N,
ZINC59961066,
AKOS033912592,
EN300-262314,
Z2442102737,
|
| Complexity | 239 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 196.064g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 196.209g/mol |
| Monoisotopic Mass | 196.064g/mol |
| Rotatable Bond Count | 2 |
| 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