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2,4-Dichloroacetophenone pure, 98%

CAT: 0565-29154-01Size: 100 gDry Ice: NoHazardous: No
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CAT#:0565-29154-01Size:100 g
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Description
Part B
CAS Number
2234-16-4
Storage Temperature
Room Temperature

Chemical Information

2',4'-Dichloroacetophenone
CAS Number2234-16-4
PubChem CID16693
IUPAC Name1-(2,4-dichlorophenyl)ethanone
Molecular FormulaC8H6Cl2O
Molecular Weight189.04
XLogP2.7
Topological Polar Surface Area17.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Heavy Atom Count11
Formal Charge0
Complexity158
SMILES
CC(=O)C1=C(C=C(C=C1)Cl)Cl
InChI
InChI=1S/C8H6Cl2O/c1-5(11)7-3-2-6(9)4-8(7)10/h2-4H,1H3
InChIKey
XMCRWEBERCXJCH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2',4'-Dichloroacetophenone
CAS: 2234-16-4
CID: 16693
Formula: C8H6Cl2O
MW: 189.04
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight189.04
XLogP32.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass187.9795702
Monoisotopic Mass187.9795702
Topological Polar Surface Area17.1 Ų
Heavy Atom Count11
Formal Charge0
Complexity158
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