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4- (2,4-Difluorophenyl) pyridine

CAT: 0127-PC1022304-01Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0127-PC1022304-01Size:250 mg
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CAS Number
914349-56-7
MDL Number
MFCD05864842
Purity
97%
Smiles
C1c (cc (c (c1) c1ccncc1) F) F

Chemical Information

4-(2,4-Difluorophenyl)pyridine
CAS Number914349-56-7
PubChem CID45036856
IUPAC Name4-(2,4-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=C1F)F)C2=CC=NC=C2
InChI
InChI=1S/C11H7F2N/c12-9-1-2-10(11(13)7-9)8-3-5-14-6-4-8/h1-7H
InChIKey
URRJAIUHVYWAMP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-(2,4-Difluorophenyl)pyridine
CAS: 914349-56-7
CID: 45036856
Formula: C11H7F2N
MW: 191.18
Interactive 3D Structure
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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