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3- (2,2,2-Trifluoroethoxy) pyridine

CAT: 0926-GKA47307-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0926-GKA47307-01Size:50 mg
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CAS Number
256473-07-1
MDL Number
MFCD09971600
Smiles
C1=CC (=CN=C1) OCC (F) (F) F
Molecular Formula
C7H6F3NO
Molecular Weight
177.12 g/mol
Controlled
No

Chemical Information

3-(2,2,2-Trifluoroethoxy)pyridine
CAS Number256473-07-1
PubChem CID12056730
IUPAC Name3-(2,2,2-trifluoroethoxy)pyridine
Molecular FormulaC7H6F3NO
Molecular Weight177.12
XLogP2.2
Topological Polar Surface Area22.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Heavy Atom Count12
Formal Charge0
Complexity137
SMILES
C1=CC(=CN=C1)OCC(F)(F)F
InChI
InChI=1S/C7H6F3NO/c8-7(9,10)5-12-6-2-1-3-11-4-6/h1-4H,5H2
InChIKey
APIGBXXRWJDRLW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-(2,2,2-Trifluoroethoxy)pyridine
CAS: 256473-07-1
CID: 12056730
Formula: C7H6F3NO
MW: 177.12
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight177.12
XLogP32.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass177.04014830
Monoisotopic Mass177.04014830
Topological Polar Surface Area22.1 Ų
Heavy Atom Count12
Formal Charge0
Complexity137
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