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2,4-Dichloro-3-methylacetophenone

CAT: 0024-sc-500027Size: 1 gDry Ice: NoHazardous: No
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CAT#:0024-sc-500027Size:1 g
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CAS Number
157652-32-9

Chemical Information

1-(2,4-Dichloro-3-methylphenyl)ethanone
CAS Number157652-32-9
PubChem CID12392251
IUPAC Name1-(2,4-dichloro-3-methylphenyl)ethanone
Molecular FormulaC9H8Cl2O
Molecular Weight203.06
XLogP3.2
Topological Polar Surface Area17.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Heavy Atom Count12
Formal Charge0
Complexity181
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
InChIKey
BDLCSODBACKBBK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-(2,4-Dichloro-3-methylphenyl)ethanone
CAS: 157652-32-9
CID: 12392251
Formula: C9H8Cl2O
MW: 203.06
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight203.06
XLogP33.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass201.9952203
Monoisotopic Mass201.9952203
Topological Polar Surface Area17.1 Ų
Heavy Atom Count12
Formal Charge0
Complexity181
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
TRC-D435465-5G2,4-Dichloro-3-methylacetophenone
GTR19251192-012',4'-Dihydroxy-3'-methylacetophenone
421223-012',3'-Difluoro-4'-methylacetophenone
PC4210052- (3,4-Difluorophenyl) -4'-methylacetophenone
PC4210092- (3-Fluorophenyl) -4'-methylacetophenone
TN7595-012',4',6'-Trimethoxy-3'-methylacetophenone
T206000-013'-Hydroxy-4'-Methylacetophenone
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