| CAS Number | 1384428-94-7 |
| Catalog Number | AG019YXP |
| Chemical Name | 6-(4-chlorophenoxy)pyridine-2-carbonitrile |
| IUPAC Name | 6-(4-chlorophenoxy)pyridine-2-carbonitrile |
| InChI | InChI=1S/C12H7ClN2O/c13-9-4-6-11(7-5-9)16-12-3-1-2-10(8-14)15-12/h1-7H |
| InChI Key | XFMUDOIBPSZDKY-UHFFFAOYSA-N |
| MDL Number | MFCD20090541 |
| Molecular Formula | C12H7ClN2O |
| Molecular Weight | 230.6498 |
| SMILES | ClC1=CC=C(OC2=NC(C#N)=CC=C2)C=C1 |
| Synonyms | 6-(4-chlorophenoxy)pyridine-2-carbonitrile,
1384428-94-7,
ZINC74941289,
AKOS013919765,
MCULE-9211005508,
NE25062,
BC894271,
EN300-103450,
Z1416203166,
|
| Complexity | 267 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 230.025g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 230.651g/mol |
| Monoisotopic Mass | 230.025g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 45.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number