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4- (2,4,5-Trifluorophenyl) pyridine

CAT: 0127-PC1009366Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0127-PC1009366Size:250 mg
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CAS Number
1214341-60-2
MDL Number
MFCD15477179
Purity
97%
Smiles
C1 (c (cc (c (c1) c1ccncc1) F) F) F

Chemical Information

4-(2,4,5-Trifluorophenyl)pyridine
CAS Number1214341-60-2
PubChem CID46317160
IUPAC Name4-(2,4,5-trifluorophenyl)pyridine
Molecular FormulaC11H6F3N
Molecular Weight209.17
XLogP2.8
Topological Polar Surface Area12.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Heavy Atom Count15
Formal Charge0
Complexity206
SMILES
C1=CN=CC=C1C2=CC(=C(C=C2F)F)F
InChI
InChI=1S/C11H6F3N/c12-9-6-11(14)10(13)5-8(9)7-1-3-15-4-2-7/h1-6H
InChIKey
TWIFIBFGEYQXEY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-(2,4,5-Trifluorophenyl)pyridine
CAS: 1214341-60-2
CID: 46317160
Formula: C11H6F3N
MW: 209.17
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight209.17
XLogP32.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass209.04523368
Monoisotopic Mass209.04523368
Topological Polar Surface Area12.9 Ų
Heavy Atom Count15
Formal Charge0
Complexity206
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