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2-Fluoroethyl Chloroformate

CAT: 0572-TRC-F591530-1GSize: 1 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-F591530-1GSize:1 g
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CAS Number
462-27-1
Synonyms
; Carbonochloridic Acid 2-Fluoroethyl Ester, 2-Fluoroethyl Carbonochloridate
Hazard Statement
Flammable liquid and vapour; UN number: UN2742; Packing Group: II
Smiles
FCCOC(=O)Cl
Molecular Formula
C3H4ClFO2
Molecular Weight
126.51
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Carbonochloridic acid, 2-fluoroethyl ester
CAS Number462-27-1
PubChem CID10017
IUPAC Name2-fluoroethyl carbonochloridate
Molecular FormulaC3H4ClFO2
Molecular Weight126.51
XLogP1.5
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count7
Formal Charge0
Complexity66
SMILES
C(CF)OC(=O)Cl
InChI
InChI=1S/C3H4ClFO2/c4-3(6)7-2-1-5/h1-2H2
InChIKey
FOHSVPIFZASOED-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Carbonochloridic acid, 2-fluoroethyl ester
CAS: 462-27-1
CID: 10017
Formula: C3H4ClFO2
MW: 126.51
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight126.51
XLogP31.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass125.9883852
Monoisotopic Mass125.9883852
Topological Polar Surface Area26.3 Ų
Heavy Atom Count7
Formal Charge0
Complexity66
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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