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2,2-Dichloroacetyl Chloride

CAT: 1299-RG-D030807-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RG-D030807-01Size:10 mg
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CAS Number
79-36-7
Synonyms
2,2-dichloroacetyl chloride
Molecular Formula
C2HCl3O
Molecular Weight
147.39
Product Name Synonym
2,2-dichloroacetyl chloride

Chemical Information

Dichloroacetyl chloride

Dichloroacetyl chloride is the acyl chloride obtained by displacement of the hydroxy group of dichloroacetic acid by chloride. It has a role as a hapten. It is functionally related to a dichloroacetic acid.

CAS Number79-36-7
PubChem CID6593
IUPAC Name2,2-dichloroacetyl chloride
Molecular FormulaC2HCl3O
Molecular Weight147.38
XLogP2.1
Topological Polar Surface Area17.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Heavy Atom Count6
Formal Charge0
Complexity59
SMILES
C(C(=O)Cl)(Cl)Cl
InChI
InChI=1S/C2HCl3O/c3-1(4)2(5)6/h1H
InChIKey
FBCCMZVIWNDFMO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Dichloroacetyl chloride
CAS: 79-36-7
CID: 6593
Formula: C2HCl3O
MW: 147.38
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight147.38
XLogP32.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass145.909298
Monoisotopic Mass145.909298
Topological Polar Surface Area17.1 Ų
Heavy Atom Count6
Formal Charge0
Complexity59.8
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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