| CAS Number | 926242-17-3 |
| Catalog Number | AG019MVY |
| Chemical Name | 2-(4-Amino-3-methylphenoxy)nicotinonitrile |
| IUPAC Name | 2-(4-amino-3-methylphenoxy)pyridine-3-carbonitrile |
| InChI | InChI=1S/C13H11N3O/c1-9-7-11(4-5-12(9)15)17-13-10(8-14)3-2-6-16-13/h2-7H,15H2,1H3 |
| InChI Key | HTYJKVGGVLVPBC-UHFFFAOYSA-N |
| MDL Number | MFCD09046024 |
| Molecular Formula | C13H11N3O |
| Molecular Weight | 225.2459 |
| SMILES | CC1=C(N)C=CC(OC2=C(C#N)C=CC=N2)=C1 |
| Synonyms | 2-(4-amino-3-methylphenoxy)pyridine-3-carbonitrile,
2-(4-amino-3-methylphenoxy)nicotinonitrile,
926242-17-3,
AC1Q2FKN,
CTK7C8921,
ZINC21964318,
AKOS000130023,
MCULE-4757590427,
NE35917,
EN300-37476,
|
| Complexity | 298 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 225.09g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 225.251g/mol |
| Monoisotopic Mass | 225.09g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 71.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
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Certificate of Analysis
Lot Number