| CAS Number | 211985-77-2 |
| Catalog Number | AG00C38J(AGN-PC-00CFC6) |
| Chemical Name | 3-Chlorophenyl cyclohexyl ketone |
| IUPAC Name | (3-chlorophenyl)-cyclohexylmethanone |
| InChI | InChI=1S/C13H15ClO/c14-12-8-4-7-11(9-12)13(15)10-5-2-1-3-6-10/h4,7-10H,1-3,5-6H2 |
| InChI Key | UCXGEGZHQMRFHV-UHFFFAOYSA-N |
| MDL Number | MFCD03841352 |
| Molecular Formula | C13H15ClO |
| Molecular Weight | 222.7106 |
| SMILES | ClC1=CC(C(C2CCCCC2)=O)=CC=C1 |
| Synonyms | 3-CHLOROPHENYL CYCLOHEXYL KETONE,
211985-77-2,
(3-chlorophenyl)(cyclohexyl)methanone,
(3-chlorophenyl)cyclohexylmethanone,
Methanone, (3-chlorophenyl)cyclohexyl-,
SCHEMBL2080623,
CTK0I9643,
DTXSID60469255,
UCXGEGZHQMRFHV-UHFFFAOYSA-N,
Cyclohexyl(3-chlorophenyl)methanone,
ZINC2514405,
MFCD03841352,
AKOS010013909,
MCULE-5326751670,
NE25925,
RP27425,
Z1431002637,
3-CHLOROPHENYLCYCLOHEXYLKETONE,
(3-chlorophenyl)-cyclohexyl-methanone,
CID11601008,
|
| Complexity | 221 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 222.081g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 222.712g/mol |
| Monoisotopic Mass | 222.081g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number