| CAS Number | 335259-42-2 |
| Catalog Number | AG00D4NJ(AGN-PC-008DJX) |
| Chemical Name | 3-(3-Chlorophenyl)cyclohexanone |
| IUPAC Name | 3-(3-chlorophenyl)cyclohexan-1-one |
| InChI | InChI=1S/C12H13ClO/c13-11-5-1-3-9(7-11)10-4-2-6-12(14)8-10/h1,3,5,7,10H,2,4,6,8H2 |
| InChI Key | YEHQJQHWCDIFQZ-UHFFFAOYSA-N |
| MDL Number | MFCD16659540 |
| Molecular Formula | C12H13ClO |
| Molecular Weight | 208.6840 |
| SMILES | ClC1=CC(C2CC(=O)CCC2)=CC=C1 |
| Synonyms | 3-(3-CHLOROPHENYL)CYCLOHEXANONE,
335259-42-2,
3-(3-chlorophenyl)cyclohexan-1-one,
SCHEMBL3233858,
DTXSID80457957,
MFCD16659540,
AKOS013845550,
AS-36310,
Z2301499747,
CID11183404,
|
| Complexity | 214 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 208.065g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 208.685g/mol |
| Monoisotopic Mass | 208.065g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number