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2- (3,4-Difluorophenyl) pyridine

CAT: 0127-PC1021503Size: 1 EachDry Ice: NoHazardous: No
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CAS Number
387831-85-8
MDL Number
MFCD07775641
Purity
95%
Smiles
C1cnc (cc1) c1ccc (c (c1) F) F

Chemical Information

2-(3,4-Difluorophenyl)pyridine
CAS Number387831-85-8
PubChem CID20747766
IUPAC Name2-(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
Complexity186
SMILES
C1=CC=NC(=C1)C2=CC(=C(C=C2)F)F
InChI
InChI=1S/C11H7F2N/c12-9-5-4-8(7-10(9)13)11-3-1-2-6-14-11/h1-7H
InChIKey
PAHNEUIHKIUNGX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(3,4-Difluorophenyl)pyridine
CAS: 387831-85-8
CID: 20747766
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
Complexity186
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