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2,4-Difluoropyrimidine

CAT: 0024-sc-254336Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-254336Size:100 mg
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CAS Number
2802-61-1

Chemical Information

2,4-Difluoropyrimidine
CAS Number2802-61-1
PubChem CID137716
IUPAC Name2,4-difluoropyrimidine
Molecular FormulaC4H2F2N2
Molecular Weight116.07
XLogP1.1
Topological Polar Surface Area25.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Heavy Atom Count8
Formal Charge0
Complexity78
SMILES
C1=CN=C(N=C1F)F
InChI
InChI=1S/C4H2F2N2/c5-3-1-2-7-4(6)8-3/h1-2H
InChIKey
JZSYSXZDIQUOGP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,4-Difluoropyrimidine
CAS: 2802-61-1
CID: 137716
Formula: C4H2F2N2
MW: 116.07
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight116.07
XLogP31.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Exact Mass116.01860440
Monoisotopic Mass116.01860440
Topological Polar Surface Area25.8 Ų
Heavy Atom Count8
Formal Charge0
Complexity78.4
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

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