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2,3-dichloro-4-fluoropyridine

CAT: 0127-PC1009321Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0127-PC1009321Size:1 Each
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CAS Number
1211586-65-0
MDL Number
MFCD16610772
Purity
95%
Smiles
C1cnc (c (c1F) Cl) Cl

Chemical Information

2,3-Dichloro-4-fluoropyridine
CAS Number1211586-65-0
PubChem CID23183478
IUPAC Name2,3-dichloro-4-fluoropyridine
Molecular FormulaC5H2Cl2FN
Molecular Weight165.98
XLogP2.5
Topological Polar Surface Area12.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count9
Formal Charge0
Complexity101
SMILES
C1=CN=C(C(=C1F)Cl)Cl
InChI
InChI=1S/C5H2Cl2FN/c6-4-3(8)1-2-9-5(4)7/h1-2H
InChIKey
KTXLKTOMNJDCRJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,3-Dichloro-4-fluoropyridine
CAS: 1211586-65-0
CID: 23183478
Formula: C5H2Cl2FN
MW: 165.98
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight165.98
XLogP32.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass164.9548326
Monoisotopic Mass164.9548326
Topological Polar Surface Area12.9 Ų
Heavy Atom Count9
Formal Charge0
Complexity101
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