| CAS Number | 588708-64-9 |
| Catalog Number | AG019ZZD(AGN-PC-0K0TUO) |
| Chemical Name | 3-fluoro-4-(morpholin-4-yl)benzonitrile |
| IUPAC Name | 3-fluoro-4-morpholin-4-ylbenzonitrile |
| InChI | InChI=1S/C11H11FN2O/c12-10-7-9(8-13)1-2-11(10)14-3-5-15-6-4-14/h1-2,7H,3-6H2 |
| InChI Key | QRRSOXPTKLNRCM-UHFFFAOYSA-N |
| MDL Number | MFCD03168028 |
| Molecular Formula | C11H11FN2O |
| Molecular Weight | 206.2162 |
| SMILES | FC1=C(N2CCOCC2)C=CC(C#N)=C1 |
| Synonyms | 3-fluoro-4-(morpholin-4-yl)benzonitrile,
588708-64-9,
AC1LM3XQ,
Benzonitrile, 3-fluoro-4-(4-morpholinyl)-,
SCHEMBL1239096,
3-fluoro-4-morpholinobenzonitrile,
QRRSOXPTKLNRCM-UHFFFAOYSA-N,
ZINC860142,
3-fluoro-4-morpholin-4-ylbenzonitrile,
AKOS000596742,
MCULE-2541568343,
NE39750,
3-Fluoro-4-morpholin-4-yl-benzonitrile,
BAS 03569587,
ZINC00860142,
CID1122303,
|
| Complexity | 257 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 206.086g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 206.22g/mol |
| Monoisotopic Mass | 206.086g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 36.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number