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4- (3,4-Difluorophenyl) pyridine

CAT: 0127-PC1009414Size: 1 EachDry Ice: NoHazardous: No
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CAS Number
1214376-44-9
MDL Number
MFCD15476738
Purity
97%
Smiles
C1c (c (cc (c1) c1ccncc1) F) F

Chemical Information

4-(3,4-Difluorophenyl)pyridine
CAS Number1214376-44-9
PubChem CID46316750
IUPAC Name4-(3,4-difluorophenyl)pyridine
Molecular FormulaC11H7F2N
Molecular Weight191.18
XLogP2.7
Topological Polar Surface Area12.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count14
Formal Charge0
Complexity180
SMILES
C1=CC(=C(C=C1C2=CC=NC=C2)F)F
InChI
InChI=1S/C11H7F2N/c12-10-2-1-9(7-11(10)13)8-3-5-14-6-4-8/h1-7H
InChIKey
MLKFPTBIROJSMS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-(3,4-Difluorophenyl)pyridine
CAS: 1214376-44-9
CID: 46316750
Formula: C11H7F2N
MW: 191.18
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight191.18
XLogP32.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass191.05465555
Monoisotopic Mass191.05465555
Topological Polar Surface Area12.9 Ų
Heavy Atom Count14
Formal Charge0
Complexity180
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