| CAS Number | 54839-12-2 |
| Catalog Number | AG019EVT(AGN-PC-00MRPC) |
| Chemical Name | 1-(4-Chlorophenyl)-2-Cyclopropylethanone |
| IUPAC Name | 1-(4-chlorophenyl)-2-cyclopropylethanone |
| InChI | InChI=1S/C11H11ClO/c12-10-5-3-9(4-6-10)11(13)7-8-1-2-8/h3-6,8H,1-2,7H2 |
| InChI Key | QKCYUBJJPXLRFJ-UHFFFAOYSA-N |
| MDL Number | MFCD16665463 |
| Molecular Formula | C11H11ClO |
| Molecular Weight | 194.6574 |
| SMILES | ClC1=CC=C(C(CC2CC2)=O)C=C1 |
| Synonyms | 1-(4-chlorophenyl)-2-cyclopropylethanone,
54839-12-2,
1-(4-chlorophenyl)-2-cyclopropylethan-1-one,
4-chlorophenyl-(cyclopropylmethyl)-ketone,
SCHEMBL867151,
CTK1E2935,
DTXSID50542026,
QKCYUBJJPXLRFJ-UHFFFAOYSA-N,
KS-00001BQ9,
MFCD16665463,
ZINC34069508,
AKOS010824076,
MCULE-7371384063,
NE45491,
CS-0037783,
Ethanone, 1-(4-chlorophenyl)-2-cyclopropyl-,
Z1799834354,
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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 | 3 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number