| CAS Number | 164165-76-8 |
| Catalog Number | AG00HZ2X |
| Chemical Name | 2-Chloro-1-(2,4-diisopropylphenyl)ethanone |
| IUPAC Name | 2-chloro-1-[2,4-di(propan-2-yl)phenyl]ethanone |
| InChI | InChI=1S/C14H19ClO/c1-9(2)11-5-6-12(14(16)8-15)13(7-11)10(3)4/h5-7,9-10H,8H2,1-4H3 |
| InChI Key | NDJCOGQLLACMQZ-UHFFFAOYSA-N |
| MDL Number | MFCD06655109 |
| Molecular Formula | C14H19ClO |
| Molecular Weight | 238.7531 |
| SMILES | CC(C1=CC(C(C)C)=C(C(CCl)=O)C=C1)C |
| Synonyms | 1-[2,4-bis(propan-2-yl)phenyl]-2-chloroethan-1-one,
164165-76-8,
2-chloro-1-(2,4-diisopropylphenyl)ethanone,
CTK6H4719,
ZINC4200335,
AKOS001115490,
MCULE-5787266238,
NE13329,
alpha-Chloro-2',4'-diisopropylacetophenone,
EN300-10682,
AC1MUAT3,
AC1Q1OH4,
ZINC04200335,
CID3663126,
2-chloro-1-[2,4-di(propan-2-yl)phenyl]ethanone,
|
| Complexity | 235 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 238.112443g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 238.75g/mol |
| Monoisotopic Mass | 238.112443g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 17.1Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number