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4-Ethyl-5-fluoropyrimidine

CAT: 0926-FE77839Size: 5000 mgDry Ice: NoHazardous: No
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CAT#:0926-FE77839Size:5000 mg
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CAS Number
137234-88-9
Smiles
CCC1=NC=NC=C1F
Molecular Formula
C6H7FN2
Molecular Weight
126.13 g/mol
Controlled
No

Chemical Information

4-Ethyl-5-fluoropyrimidine
CAS Number137234-88-9
PubChem CID19074919
IUPAC Name4-ethyl-5-fluoropyrimidine
Molecular FormulaC6H7FN2
Molecular Weight126.13
XLogP1.1
Topological Polar Surface Area25.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count9
Formal Charge0
Complexity87
SMILES
CCC1=NC=NC=C1F
InChI
InChI=1S/C6H7FN2/c1-2-6-5(7)3-8-4-9-6/h3-4H,2H2,1H3
InChIKey
AYZDRTRWCASUFO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Ethyl-5-fluoropyrimidine
CAS: 137234-88-9
CID: 19074919
Formula: C6H7FN2
MW: 126.13
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight126.13
XLogP31.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass126.05932639
Monoisotopic Mass126.05932639
Topological Polar Surface Area25.8 Ų
Heavy Atom Count9
Formal Charge0
Complexity87.1
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