| CAS Number | 1159826-56-8 |
| Catalog Number | AG0099HX |
| Chemical Name | 2-(2-Cyanophenoxy)-4-chloropyrimidine |
| IUPAC Name | 2-(4-chloropyrimidin-2-yl)oxybenzonitrile |
| InChI | InChI=1S/C11H6ClN3O/c12-10-5-6-14-11(15-10)16-9-4-2-1-3-8(9)7-13/h1-6H |
| InChI Key | IXWFLIZOUFAVES-UHFFFAOYSA-N |
| MDL Number | MFCD12068369 |
| Molecular Formula | C11H6ClN3O |
| Molecular Weight | 231.6378 |
| SMILES | ClC1=NC(OC2=CC=CC=C2C#N)=NC=C1 |
| Synonyms | 2-(2-Cyanophenoxy)-4-chloropyrimidine,
1159826-56-8,
2-((4-Chloropyrimidin-2-yl)oxy)benzonitrile,
2-[(4-Chloropyrimidin-2-yl)oxy]benzonitrile,
DTXSID10679468,
MFCD12068369,
ZINC44713501,
AS-31402,
2-(4-chloropyrimidin-2-yloxy)benzonitrile,
2-(4-Chloro-pyrimidin-2-yloxy)-benzonitrile,
A-2132,
|
| Complexity | 278 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 231.02g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 231.639g/mol |
| Monoisotopic Mass | 231.02g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 58.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number