| CAS Number | 54195-75-4 |
| Catalog Number | AG00DTB8(AGN-PC-07AAR0) |
| Chemical Name | 2-chloro-1-cyclobutylethan-1-one |
| IUPAC Name | 2-chloro-1-cyclobutylethanone |
| InChI | InChI=1S/C6H9ClO/c7-4-6(8)5-2-1-3-5/h5H,1-4H2 |
| InChI Key | KLQMFXYLBYWLCX-UHFFFAOYSA-N |
| MDL Number | MFCD18970965 |
| Molecular Formula | C6H9ClO |
| Molecular Weight | 132.5881 |
| SMILES | ClCC(C1CCC1)=O |
| Synonyms | 2-chloro-1-cyclobutylethan-1-one,
54195-75-4,
Ethanone, 2-chloro-1-cyclobutyl- (9CI),
CTK8J1475,
ZINC39054727,
3-(2-chloro-1-oxoethyl) cyclobutane,
AKOS017504555,
NE32141,
|
| Complexity | 96.7 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 132.034g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 132.587g/mol |
| Monoisotopic Mass | 132.034g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number