| CAS Number | 1340251-32-2 |
| Catalog Number | AG00HT4V |
| Chemical Name | 1-(4-Fluorophenyl)-3-oxocyclobutanecarbonitrile |
| IUPAC Name | 1-(4-fluorophenyl)-3-oxocyclobutane-1-carbonitrile |
| InChI | InChI=1S/C11H8FNO/c12-9-3-1-8(2-4-9)11(7-13)5-10(14)6-11/h1-4H,5-6H2 |
| InChI Key | DITZGEPCGHBJSP-UHFFFAOYSA-N |
| MDL Number | MFCD20440603 |
| Molecular Formula | C11H8FNO |
| Molecular Weight | 189.1857 |
| SMILES | N#CC1(C2=CC=C(F)C=C2)CC(C1)=O |
| Synonyms | SCHEMBL19212372,
AKOS014235673,
1-(4-fluorophenyl)-3-oxocyclobutanecarbonitrile,
1-(4-fluorophenyl)-3-oxocyclobutane-1-carbonitrile,
1340251-32-2,
|
| Complexity | 288 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 189.059g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 189.189g/mol |
| Monoisotopic Mass | 189.059g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 40.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number