| CAS Number | 154260-25-0 |
| Catalog Number | AG00OOXE(AGN-PC-3H458B) |
| Chemical Name | 1-(3,5-Dichloro-2-methoxyphenyl)ethan-1-one |
| IUPAC Name | 1-(3,5-dichloro-2-methoxyphenyl)ethanone |
| InChI | InChI=1S/C9H8Cl2O2/c1-5(12)7-3-6(10)4-8(11)9(7)13-2/h3-4H,1-2H3 |
| InChI Key | MLXBLQUBVDCARQ-UHFFFAOYSA-N |
| MDL Number | MFCD03789120 |
| Molecular Formula | C9H8Cl2O2 |
| Molecular Weight | 219.0646 |
| SMILES | CC(=O)C1=C(C(=CC(=C1)Cl)Cl)OC |
| Synonyms | 1-(3,5-dichloro-2-methoxyphenyl)ethanone,
154260-25-0,
1-(3,5-dichloro-2-methoxyphenyl)ethan-1-one,
3,5-Dichloro-2-methoxyacetophenone,
AC1MBXFR,
SCHEMBL8427153,
ZINC2511043,
AKOS022520647,
1-?(3,?5-?Dichloro-?2-?methoxyphenyl)?-ethanone,
ZINC02511043,
CID2758121,
|
| Complexity | 196 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 217.99g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 219.061g/mol |
| Monoisotopic Mass | 217.99g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number