| CAS Number | 630125-69-8 |
| Catalog Number | AG01BBZQ(AGN-PC-09SITI) |
| Chemical Name | 4-(4-aminophenoxy)pyridine-2-carbonitrile |
| IUPAC Name | 4-(4-aminophenoxy)pyridine-2-carbonitrile |
| InChI | InChI=1S/C12H9N3O/c13-8-10-7-12(5-6-15-10)16-11-3-1-9(14)2-4-11/h1-7H,14H2 |
| InChI Key | GRAZISXKEOERSH-UHFFFAOYSA-N |
| MDL Number | MFCD08447089 |
| Molecular Formula | C12H9N3O |
| Molecular Weight | 211.2194 |
| SMILES | NC1=CC=C(OC2=CC(=NC=C2)C#N)C=C1 |
| Synonyms | 4-(4-aminophenoxy)pyridine-2-carbonitrile,
630125-69-8,
4-(4-Aminophenoxy)picolinonitrile,
4-(4-Amino-phenoxy)-pyridine-2-carbonitrile,
SCHEMBL1642799,
GRAZISXKEOERSH-UHFFFAOYSA-N,
ZINC8764192,
AKOS012222695,
BC553049,
4-(4-Aminophenoxy) pyridine-2-carbonitrile,
EN300-215974,
4-(4-aminophenoxy)-2-pyridinecarbonitrile, AldrichCPR,
Z2130643682,
|
| Complexity | 265 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 211.075g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 211.224g/mol |
| Monoisotopic Mass | 211.075g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 71.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
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Certificate of Analysis
Lot Number