| CAS Number | 1481179-72-9 |
| Catalog Number | AG01C1RD |
| Chemical Name | 3,5-Difluoro-4-(morpholin-4-yl)benzonitrile |
| IUPAC Name | 3,5-difluoro-4-morpholin-4-ylbenzonitrile |
| InChI | InChI=1S/C11H10F2N2O/c12-9-5-8(7-14)6-10(13)11(9)15-1-3-16-4-2-15/h5-6H,1-4H2 |
| InChI Key | AJUCLIASGYDYQE-UHFFFAOYSA-N |
| MDL Number | MFCD22742359 |
| Molecular Formula | C11H10F2N2O |
| Molecular Weight | 224.2067 |
| SMILES | FC1=C(N2CCOCC2)C(F)=CC(C#N)=C1 |
| Synonyms | 3,5-difluoro-4-(morpholin-4-yl)benzonitrile,
1481179-72-9,
AKOS017456068,
ZINC110315794,
BC4350722,
EN300-248458,
Z915930886,
|
| Complexity | 273 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 224.076g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 224.211g/mol |
| Monoisotopic Mass | 224.076g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 36.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number