2,4-Dichloro-3-methylacetophenone - CAS 157652-32-9
Catalog: |
BB068024 |
Product Name: |
2,4-Dichloro-3-methylacetophenone |
CAS: |
157652-32-9 |
Synonyms: |
1-(2,4-dichloro-3-methylphenyl)ethanone; 2,4-dichloro-3-methylacetophenone; 1-(2,4-Dichloro-3-methylphenyl)ethan-1-one; 2',4'-Dichloro-3'-methylacetophenone |
IUPAC Name: | 1-(2,4-dichloro-3-methylphenyl)ethanone |
Description: | 2,4-Dichloro-3-methylacetophenone is an intermediate used to synthesize 7-Chloro-1-cyclopropyl-1,4-dihydro-8-methyl-4-oxo-3-quinolinecarboxylic Acid (C364875) which is a medical bactericide. |
Molecular Weight: | 203.07 |
Molecular Formula: | C9H8Cl2O |
Canonical SMILES: | CC1=C(C=CC(=C1Cl)C(=O)C)Cl |
InChI: | InChI=1S/C9H8Cl2O/c1-5-8(10)4-3-7(6(2)12)9(5)11/h3-4H,1-2H3 |
InChI Key: | BDLCSODBACKBBK-UHFFFAOYSA-N |
Complexity: | 181 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 201.9952203 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 201.9952203 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 17.1Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.2 |
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