| CAS Number | 1538764-41-8 |
| Catalog Number | AG019EV6 |
| Chemical Name | 4-((5-chloro-3-fluoropyridin-2-yl)oxy)benzonitrile |
| IUPAC Name | 4-(5-chloro-3-fluoropyridin-2-yl)oxybenzonitrile |
| InChI | InChI=1S/C12H6ClFN2O/c13-9-5-11(14)12(16-7-9)17-10-3-1-8(6-15)2-4-10/h1-5,7H |
| InChI Key | KORKSJIDLJHCSB-UHFFFAOYSA-N |
| MDL Number | MFCD22725273 |
| Molecular Formula | C12H6ClFN2O |
| Molecular Weight | 248.6402 |
| SMILES | ClC=1C=C(C(=NC1)OC1=CC=C(C#N)C=C1)F |
| Synonyms | 4-((5-Chloro-3-fluoropyridin-2-yl)oxy)benzonitrile,
1538764-41-8,
SCHEMBL16827312,
MFCD22725273,
ZINC94053486,
AKOS018285664,
AS-48715,
CS-0059789,
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| Complexity | 298 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 248.015g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 248.641g/mol |
| Monoisotopic Mass | 248.015g/mol |
| Rotatable Bond Count | 2 |
| 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
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