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Methoxyacetyl Chloride

CAT: 0572-TRC-M261128-500MGSize: 500 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-M261128-500MGSize:500 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
38870-89-2
Synonyms
2-Methoxyacetyl Chloride; Methoxyacetic Acid Chloride; NSC 82321; α-Methoxyacetyl Chloride
Hazard Statement
Flammable liquid and vapour; UN number: UN2920; Packing Group: II
Smiles
COCC(=O)Cl
Molecular Formula
C3H5ClO2
Molecular Weight
108.52
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Methoxyacetyl chloride
CAS Number38870-89-2
PubChem CID96623
IUPAC Name2-methoxyacetyl chloride
Molecular FormulaC3H5ClO2
Molecular Weight108.52
XLogP0.7
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count6
Formal Charge0
Complexity52
SMILES
COCC(=O)Cl
InChI
InChI=1S/C3H5ClO2/c1-6-2-3(4)5/h2H2,1H3
InChIKey
JJKWHOSQTYYFAE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Methoxyacetyl chloride
CAS: 38870-89-2
CID: 96623
Formula: C3H5ClO2
MW: 108.52
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight108.52
XLogP30.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass107.9978071
Monoisotopic Mass107.9978071
Topological Polar Surface Area26.3 Ų
Heavy Atom Count6
Formal Charge0
Complexity52.8
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