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Acetyl-13C2 Chloride

CAT: 0572-TRC-A164498-50MGSize: 50 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-A164498-50MGSize:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
89186-79-8
Hazard Statement
Highly flammable liquid and vapour; UN number: UN1717; Packing Group: II
Smiles
[13CH3][13C](=O)Cl
Molecular Formula
13C2 H3 Cl O
Molecular Weight
80.483
InChI
InChI=1S/C2H3ClO/c1-2(3)4/h1H3/i1+1,2+1
Additionnal Information
IUPAC name: acetyl chloride
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Acetyl chloride-13C2
CAS Number89186-79-8
PubChem CID12214087
IUPAC Nameacetyl chloride
Molecular FormulaC2H3ClO
Molecular Weight80.48
XLogP0.8
Topological Polar Surface Area17.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Heavy Atom Count4
Formal Charge0
Complexity33
SMILES
[13CH3][13C](=O)Cl
InChI
InChI=1S/C2H3ClO/c1-2(3)4/h1H3/i1+1,2+1
InChIKey
WETWJCDKMRHUPV-ZDOIIHCHSA-N
Chemical Structure
2D Structure
2D structure of Acetyl chloride-13C2
CAS: 89186-79-8
CID: 12214087
Formula: C2H3ClO
MW: 80.48
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight80.48
XLogP30.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass79.9939521
Monoisotopic Mass79.9939521
Topological Polar Surface Area17.1 Ų
Heavy Atom Count4
Formal Charge0
Complexity33
Isotope Atom Count2
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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