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2,2-Dichloro-1-(2,4-dichlorophenyl)ethanone

CAT: 0572-TRC-D434125-10GSize: 10 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-D434125-10GSize:10 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2274-66-0
Synonyms
2,2,2',4'-Tetrachloroacetophenone; 2,4-Dichlorophenacylidene Dichloride; NSC 81222; alpha,alpha,2',4'-Tetrachloroacetophenone;
Hazard Statement
Causes serious eye irritation.
Smiles
ClC(Cl)C(=O)c1ccc(Cl)cc1Cl
Molecular Formula
C8H4Cl4O
Molecular Weight
257.93
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

2,2-Dichloro-1-(2,4-dichlorophenyl)ethanone
CAS Number2274-66-0
PubChem CID75284
IUPAC Name2,2-dichloro-1-(2,4-dichlorophenyl)ethanone
Molecular FormulaC8H4Cl4O
Molecular Weight257.9
XLogP4.2
Topological Polar Surface Area17.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Heavy Atom Count13
Formal Charge0
Complexity195
SMILES
C1=CC(=C(C=C1Cl)Cl)C(=O)C(Cl)Cl
InChI
InChI=1S/C8H4Cl4O/c9-4-1-2-5(6(10)3-4)7(13)8(11)12/h1-3,8H
InChIKey
LRXWJPURTZCTEH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,2-Dichloro-1-(2,4-dichlorophenyl)ethanone
CAS: 2274-66-0
CID: 75284
Formula: C8H4Cl4O
MW: 257.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight257.9
XLogP34.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass257.898675
Monoisotopic Mass255.901626
Topological Polar Surface Area17.1 Ų
Heavy Atom Count13
Formal Charge0
Complexity195
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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