| CAS Number | 22526-30-3 |
| Catalog Number | AG00BEDS(AGN-PC-00O7Y1) |
| Chemical Name | 4'',5''-DICHLORO-2''-HYDROXYACETOPHENONE |
| IUPAC Name | 1-(4,5-dichloro-2-hydroxyphenyl)ethanone |
| InChI | InChI=1S/C8H6Cl2O2/c1-4(11)5-2-6(9)7(10)3-8(5)12/h2-3,12H,1H3 |
| InChI Key | LZDZGKFMOJUAKB-UHFFFAOYSA-N |
| MDL Number | MFCD09263492 |
| Molecular Formula | C8H6Cl2O2 |
| Molecular Weight | 205.0380 |
| SMILES | CC(C1=CC(Cl)=C(Cl)C=C1O)=O |
| Synonyms | 1-(4,5-Dichloro-2-hydroxyphenyl)ethanone,
22526-30-3,
1-(4,5-dichloro-2-hydroxyphenyl)ethan-1-one,
4'',5''-DICHLORO-2''-HYDROXYACETOPHENONE,
SCHEMBL3141818,
LZDZGKFMOJUAKB-UHFFFAOYSA-N,
ZINC34168446,
AKOS022648112,
MCULE-2098523787,
NE14243,
2'-Hydroxy-4',5'-dichloroacetophenone,
AJ-87278,
Ethanone, 1-(4,5-dichloro-2-hydroxyphenyl)-,
Z1869802122,
|
| Complexity | 184 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 203.974g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 205.034g/mol |
| Monoisotopic Mass | 203.974g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number