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Ethyl difluoroazidoacetate

CAT: 0013-GTR19236078-01Size: 0.05 gDry Ice: NoHazardous: No
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CAT#:0013-GTR19236078-01Size:0.05 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Ethyl difluoroazidoacetate
CAS Number
153755-61-4
Form
Yellowish liquid
Smiles
O=C (C (F) (N=[N+]=[N-]) F) OCC
Molecular Formula
C4H5F2N3O2
Molecular Weight
165.1
Storage Conditions
Storage/Stability: -20 °C. Handling Conditions: avoid exposure to light
Notes
For research use only.

Chemical Information

Ethyl 2-azido-2,2-difluoroacetate
CAS Number153755-61-4
PubChem CID19107658
IUPAC Nameethyl 2-azido-2,2-difluoroacetate
Molecular FormulaC4H5F2N3O2
Molecular Weight165.10
XLogP2.3
Topological Polar Surface Area40.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count11
Formal Charge0
Complexity200
SMILES
CCOC(=O)C(N=[N+]=[N-])(F)F
InChI
InChI=1S/C4H5F2N3O2/c1-2-11-3(10)4(5,6)8-9-7/h2H2,1H3
InChIKey
BISKRTIGSBFIQH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ethyl 2-azido-2,2-difluoroacetate
CAS: 153755-61-4
CID: 19107658
Formula: C4H5F2N3O2
MW: 165.10
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight165.10
XLogP32.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass165.03498273
Monoisotopic Mass165.03498273
Topological Polar Surface Area40.7 Ų
Heavy Atom Count11
Formal Charge0
Complexity200
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count1
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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