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2-(Difluoromethoxy)ethanol

CAT: 0572-TRC-D423695-250MGSize: 250 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-D423695-250MGSize:250 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1781606-88-9
Hazard Statement
No Data Available
Smiles
OCCOC(F)F
Molecular Formula
C3 H6 F2 O2
Molecular Weight
112.075
InChI
InChI=1S/C3H6F2O2/c4-3(5)7-2-1-6/h3,6H,1-2H2
Additionnal Information
IUPAC name: 2-(difluoromethoxy)ethanol
Shipping Conditions
Room Temperature

Chemical Information

2-(Difluoromethoxy)ethan-1-ol
CAS Number1781606-88-9
PubChem CID19828973
IUPAC Name2-(difluoromethoxy)ethanol
Molecular FormulaC3H6F2O2
Molecular Weight112.08
XLogP0.3
Topological Polar Surface Area29.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count7
Formal Charge0
Complexity39
SMILES
C(COC(F)F)O
InChI
InChI=1S/C3H6F2O2/c4-3(5)7-2-1-6/h3,6H,1-2H2
InChIKey
IHIKAQWBBZLXFF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(Difluoromethoxy)ethan-1-ol
CAS: 1781606-88-9
CID: 19828973
Formula: C3H6F2O2
MW: 112.08
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight112.08
XLogP30.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass112.03358575
Monoisotopic Mass112.03358575
Topological Polar Surface Area29.5 Ų
Heavy Atom Count7
Formal Charge0
Complexity39.9
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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