| CAS Number | 28478-40-2 |
| Catalog Number | AG00PH1B(AGN-PC-3H4591) |
| Chemical Name | 5-Chloro-2-methoxy-4-methylacetophenone |
| IUPAC Name | 1-(5-chloro-2-methoxy-4-methylphenyl)ethanone |
| InChI | InChI=1S/C10H11ClO2/c1-6-4-10(13-3)8(7(2)12)5-9(6)11/h4-5H,1-3H3 |
| InChI Key | LEACQUIPGGZTPU-UHFFFAOYSA-N |
| MDL Number | MFCD03789140 |
| Molecular Formula | C10H11ClO2 |
| Molecular Weight | 198.6461 |
| SMILES | ClC1=CC(C(C)=O)=C(OC)C=C1C |
| Synonyms | 1-(5-chloro-2-methoxy-4-methylphenyl)ethanone,
28478-40-2,
1-(5-chloro-2-methoxy-4-methylphenyl)ethan-1-one,
5-Chloro-2-methoxy-4-methylacetophenone,
AC1MBWBU,
SCHEMBL3928834,
KS-00003KFD,
LEACQUIPGGZTPU-UHFFFAOYSA-N,
ZINC2511062,
AKOS006278120,
FS-1581,
DA-42908,
FT-0704105,
1-(5-Chloro-2-methoxy-4-methylphenyl)-1-ethanone,
ZINC02511062,
CID2757638,
|
| Complexity | 193 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 198.045g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 198.646g/mol |
| Monoisotopic Mass | 198.045g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number