| CAS Number | 91398-51-5 |
| Catalog Number | AG006BFP(AGN-PC-00NOZE) |
| Chemical Name | 3-(4-Chlorophenyl)cyclohex-2-en-1-one |
| IUPAC Name | 3-(4-chlorophenyl)cyclohex-2-en-1-one |
| InChI | InChI=1S/C12H11ClO/c13-11-6-4-9(5-7-11)10-2-1-3-12(14)8-10/h4-8H,1-3H2 |
| InChI Key | NHRHRYOUFLEDMW-UHFFFAOYSA-N |
| MDL Number | MFCD21141638 |
| Molecular Formula | C12H11ClO |
| Molecular Weight | 206.6681 |
| SMILES | O=C1C=C(C2=CC=C(Cl)C=C2)CCC1 |
| Synonyms | 91398-51-5,
3-(4-chlorophenyl)cyclohex-2-en-1-one,
2-Cyclohexen-1-one, 3-(4-chlorophenyl)-,
CTK3I1089,
DTXSID60547502,
ZINC75864726,
AKOS014506087,
3-(4-Chlorophenyl)-2-cyclohexen-1-one,
3-(4-Chlorophenyl)-2-cyclohexene-1-one,
4'-Chloro-5,6-dihydro[1,1'-biphenyl]-3(4H)-one,
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| Complexity | 249 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 206.05g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 206.669g/mol |
| Monoisotopic Mass | 206.05g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number