| CAS Number | 1016793-12-6 |
| Catalog Number | AG019TBP |
| Chemical Name | 6-(2,3-dichlorophenoxy)pyridine-3-carbonitrile |
| IUPAC Name | 6-(2,3-dichlorophenoxy)pyridine-3-carbonitrile |
| InChI | InChI=1S/C12H6Cl2N2O/c13-9-2-1-3-10(12(9)14)17-11-5-4-8(6-15)7-16-11/h1-5,7H |
| InChI Key | PXLQYCSWKOVCIB-UHFFFAOYSA-N |
| MDL Number | MFCD09951261 |
| Molecular Formula | C12H6Cl2N2O |
| Molecular Weight | 265.0948 |
| SMILES | ClC1=C(Cl)C(OC2=NC=C(C#N)C=C2)=CC=C1 |
| Synonyms | 6-(2,3-dichlorophenoxy)pyridine-3-carbonitrile,
1016793-12-6,
ZINC19519820,
AKOS000195590,
MCULE-4149117664,
NE14692,
Z228682078,
|
| Complexity | 304 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 263.986g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 265.093g/mol |
| Monoisotopic Mass | 263.986g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 45.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.7 |
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Certificate of Analysis
Lot Number