| CAS Number | 20845-80-1 |
| Catalog Number | AG002JP0(AGN-PC-0NCUTO) |
| Chemical Name | 1-Chloro-4-phenylbutan-2-one |
| IUPAC Name | 1-chloro-4-phenylbutan-2-one |
| InChI | InChI=1S/C10H11ClO/c11-8-10(12)7-6-9-4-2-1-3-5-9/h1-5H,6-8H2 |
| InChI Key | AUXNFZYATAMYJU-UHFFFAOYSA-N |
| MDL Number | MFCD11934982 |
| Molecular Formula | C10H11ClO |
| Molecular Weight | 182.6467 |
| SMILES | ClCC(CCC1=CC=CC=C1)=O |
| Synonyms | 1-chloro-4-phenyl-2-butanone,
1-chloro-4-phenylbutan-2-one,
2-Butanone, 1-chloro-4-phenyl-,
20845-80-1,
phenylethyl chloromethyl ketone,
SCHEMBL1371070,
1-Chloro-4-phenylbutane-2-one,
CTK0J8343,
DTXSID20448369,
AUXNFZYATAMYJU-UHFFFAOYSA-N,
ZINC32007640,
AKOS017515219,
1-Chloro-4-phenyl-2-butanone, AldrichCPR,
1-chloro-4-phenyl-butan-2-one,
CID10921160,
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| Complexity | 139 |
| 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 | 4 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number