| CAS Number | 83598-07-6 |
| Catalog Number | AG01B50F(AGN-PC-0NT1NW) |
| Chemical Name | 1-(4-Chlorophenyl)butan-2-one |
| IUPAC Name | 1-(4-chlorophenyl)butan-2-one |
| InChI | InChI=1S/C10H11ClO/c1-2-10(12)7-8-3-5-9(11)6-4-8/h3-6H,2,7H2,1H3 |
| InChI Key | MIRNHGCBMVDSEI-UHFFFAOYSA-N |
| MDL Number | MFCD11934977 |
| Molecular Formula | C10H11ClO |
| Molecular Weight | 182.6467 |
| SMILES | CCC(CC1=CC=C(Cl)C=C1)=O |
| Synonyms | 1-(4-Chlorophenyl)butan-2-one,
83598-07-6,
1-(4-chloro-phenyl)-butan-2-one,
SCHEMBL3070923,
ZINC32007628,
AKOS010014277,
|
| Complexity | 148 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 182.05g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 182.647g/mol |
| Monoisotopic Mass | 182.05g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number