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Acetoxyacetyl chloride

CAT: 0024-sc-227206Size: 5 gDry Ice: NoHazardous: No
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CAT#:0024-sc-227206Size:5 g
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CAS Number
13831-31-7

Chemical Information

Acetoxyacetyl chloride
CAS Number13831-31-7
PubChem CID26297
IUPAC Name(2-chloro-2-oxoethyl) acetate
Molecular FormulaC4H5ClO3
Molecular Weight136.53
XLogP0.7
Topological Polar Surface Area43.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count8
Formal Charge0
Complexity110
SMILES
CC(=O)OCC(=O)Cl
InChI
InChI=1S/C4H5ClO3/c1-3(6)8-2-4(5)7/h2H2,1H3
InChIKey
HZDNNJABYXNPPV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Acetoxyacetyl chloride
CAS: 13831-31-7
CID: 26297
Formula: C4H5ClO3
MW: 136.53
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight136.53
XLogP30.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass135.9927217
Monoisotopic Mass135.9927217
Topological Polar Surface Area43.4 Ų
Heavy Atom Count8
Formal Charge0
Complexity110
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
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MBS6097051-01N-Methyl-N-(2-acetoxyacetyl) Tamoxifen
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189775-01Phenyl Methanesulphonyl Chloride (α-Toluenesulphonyl Chloride; Phenylmethylsulphonyl Chloride)
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