| CAS Number | 1016887-17-4 |
| Catalog Number | AG01A948 |
| Chemical Name | 2-(3-ethylphenoxy)pyridine-4-carbonitrile |
| IUPAC Name | 2-(3-ethylphenoxy)pyridine-4-carbonitrile |
| InChI | InChI=1S/C14H12N2O/c1-2-11-4-3-5-13(8-11)17-14-9-12(10-15)6-7-16-14/h3-9H,2H2,1H3 |
| InChI Key | FEEMXZFUENIEEC-UHFFFAOYSA-N |
| MDL Number | MFCD09938425 |
| Molecular Formula | C14H12N2O |
| Molecular Weight | 224.2579 |
| SMILES | CCC1=CC(OC2=NC=CC(C#N)=C2)=CC=C1 |
| Synonyms | 2-(3-ethylphenoxy)pyridine-4-carbonitrile,
1016887-17-4,
EN300-64133,
AC1Q2TCY,
ZINC19477923,
AKOS000181350,
MCULE-8865399168,
NE19368,
SEL10035885,
Z1101435016,
|
| Complexity | 283 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 224.095g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 224.263g/mol |
| Monoisotopic Mass | 224.095g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 45.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
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Certificate of Analysis
Lot Number