| CAS Number | 77585-25-2 |
| Catalog Number | AG008OV3(AGN-PC-0WBKI6) |
| Chemical Name | 4-Chlorophenyl cyclobutyl ketone |
| IUPAC Name | (4-chlorophenyl)-cyclobutylmethanone |
| InChI | InChI=1S/C11H11ClO/c12-10-6-4-9(5-7-10)11(13)8-2-1-3-8/h4-8H,1-3H2 |
| InChI Key | IHSRIIPWSHCVCZ-UHFFFAOYSA-N |
| MDL Number | MFCD03841262 |
| Molecular Formula | C11H11ClO |
| Molecular Weight | 194.6574 |
| SMILES | O=C(C1=CC=C(Cl)C=C1)C2CCC2 |
| Synonyms | 4-CHLOROPHENYL CYCLOBUTYL KETONE,
77585-25-2,
(4-Chlorophenyl)(cyclobutyl)methanone,
CTK5E4664,
DTXSID90504128,
ZINC2514317,
9620AE,
MFCD03841262,
AKOS009339576,
MCULE-1014847953,
NS-01906,
C11H11ClO,
4-CHLOROPHENYLCYCLOBUTYLKETONE,
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| Complexity | 190 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 194.05g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 194.658g/mol |
| Monoisotopic Mass | 194.05g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number