| CAS Number | 72825-30-0 |
| Catalog Number | AG00FHSP(AGN-PC-0KFCY9) |
| Chemical Name | 2-Chloro-1-(4-cyclohexylphenyl)ethanone |
| IUPAC Name | 2-chloro-1-(4-cyclohexylphenyl)ethanone |
| InChI | InChI=1S/C14H17ClO/c15-10-14(16)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h6-9,11H,1-5,10H2 |
| InChI Key | JQBRUWGVDKLWGP-UHFFFAOYSA-N |
| MDL Number | MFCD03980996 |
| Molecular Formula | C14H17ClO |
| Molecular Weight | 236.7372 |
| SMILES | ClCC(C1=CC=C(C2CCCCC2)C=C1)=O |
| Synonyms | 72825-30-0,
2-chloro-1-(4-cyclohexylphenyl)ethanone,
2-Chloro-1-(4-cyclohexyl-phenyl)-ethanone,
2-chloro-1-(4-cyclohexylphenyl)ethan-1-one,
AC1M5ZSP,
AC1Q3T9H,
4-cyclohexylphenacyl chloride,
SCHEMBL11186282,
DTXSID70368265,
JQBRUWGVDKLWGP-UHFFFAOYSA-N,
ZINC3246476,
BBL035865,
STL444363,
AKOS000200879,
MCULE-9255835432,
NE12746,
EN300-05060,
2-CHLORO-1- -ETHANONE,
ZINC03246476,
CID2363723,
|
| Complexity | 225 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 236.097g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 236.739g/mol |
| Monoisotopic Mass | 236.097g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number