| CAS Number | 944890-18-0 |
| Catalog Number | AG01B9KT |
| Chemical Name | 1-[3-Chloro-4-(propan-2-yloxy)phenyl]ethan-1-one |
| IUPAC Name | 1-(3-chloro-4-propan-2-yloxyphenyl)ethanone |
| InChI | InChI=1S/C11H13ClO2/c1-7(2)14-11-5-4-9(8(3)13)6-10(11)12/h4-7H,1-3H3 |
| InChI Key | KTKDBLMLMCAZLT-UHFFFAOYSA-N |
| MDL Number | MFCD09754926 |
| Molecular Formula | C11H13ClO2 |
| Molecular Weight | 212.6727 |
| SMILES | CC(OC1=C(Cl)C=C(C(C)=O)C=C1)C |
| Synonyms | 944890-18-0,
1-[3-chloro-4-(propan-2-yloxy)phenyl]ethan-1-one,
SCHEMBL3940201,
KTKDBLMLMCAZLT-UHFFFAOYSA-N,
ZINC20134182,
AKOS000296242,
1-(3-chloro-4-isopropoxyphenyl)ethanone,
Ethanone, 1-[3-chloro-4-(1-methylethoxy)phenyl]-,
1-(3-chloro-4-propan-2-yloxyphenyl)ethanone,
|
| Complexity | 204 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 212.06g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 212.673g/mol |
| Monoisotopic Mass | 212.06g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number