| CAS Number | 901924-07-0 |
| Catalog Number | AG019LAT |
| Chemical Name | 2-(4-Aminophenoxy)nicotinonitrile |
| IUPAC Name | 2-(4-aminophenoxy)pyridine-3-carbonitrile |
| InChI | InChI=1S/C12H9N3O/c13-8-9-2-1-7-15-12(9)16-11-5-3-10(14)4-6-11/h1-7H,14H2 |
| InChI Key | CGFAIGKJTUSESM-UHFFFAOYSA-N |
| MDL Number | MFCD06825429 |
| Molecular Formula | C12H9N3O |
| Molecular Weight | 211.2194 |
| SMILES | NC1=CC=C(OC2=C(C#N)C=CC=N2)C=C1 |
| Synonyms | 2-(4-aminophenoxy)pyridine-3-carbonitrile,
2-(4-aminophenoxy)nicotinonitrile,
901924-07-0,
EN300-30637,
AC1Q524A,
CTK7C8922,
ZINC20281518,
AKOS000131107,
MCULE-5593941030,
NE61025,
BC3379125,
|
| 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 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number