| CAS Number | 1517936-85-4 |
| Catalog Number | AG01BVJF |
| Chemical Name | 2-((6-chloropyridin-3-yl)oxy)acetonitrile |
| IUPAC Name | 2-(6-chloropyridin-3-yl)oxyacetonitrile |
| InChI | InChI=1S/C7H5ClN2O/c8-7-2-1-6(5-10-7)11-4-3-9/h1-2,5H,4H2 |
| InChI Key | QJTYQKSGXXDVMO-UHFFFAOYSA-N |
| MDL Number | MFCD23903506 |
| Molecular Formula | C7H5ClN2O |
| Molecular Weight | 168.5804 |
| SMILES | ClC1=NC=C(OCC#N)C=C1 |
| Synonyms | 2-[(6-chloropyridin-3-yl)oxy]acetonitrile,
1517936-85-4,
ZINC87543108,
AKOS019018419,
|
| Complexity | 165 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 168.009g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 168.58g/mol |
| Monoisotopic Mass | 168.009g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 45.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
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Certificate of Analysis
Lot Number