| CAS Number | 58835-79-3 |
| Catalog Number | AG01A7FX(AGN-PC-06GGVJ) |
| Chemical Name | 4-(Pyridin-3-yloxy)benzonitrile |
| IUPAC Name | 4-pyridin-3-yloxybenzonitrile |
| InChI | InChI=1S/C12H8N2O/c13-8-10-3-5-11(6-4-10)15-12-2-1-7-14-9-12/h1-7,9H |
| InChI Key | AIFAURQOXGQJRN-UHFFFAOYSA-N |
| MDL Number | MFCD11178092 |
| Molecular Formula | C12H8N2O |
| Molecular Weight | 196.2047 |
| SMILES | N1=CC(=CC=C1)OC1=CC=C(C#N)C=C1 |
| Synonyms | 4-(pyridin-3-yloxy)benzonitrile,
4-(3-Pyridyloxy)Benzonitrile,
58835-79-3,
CHEMBL1956171,
EN300-58576,
AC1Q4R3N,
SCHEMBL2023479,
AIFAURQOXGQJRN-UHFFFAOYSA-N,
BDBM50365734,
ZINC36805099,
AKOS008122665,
MCULE-3348461220,
NE24894,
|
| Complexity | 237 |
| 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 | 2.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number