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2-Ethoxy-5-fluoropyrimidine

CAT: 0127-PC450129-01Size: 1 gDry Ice: NoHazardous: No
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CAT#:0127-PC450129-01Size:1 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
17148-48-0
MDL Number
MFCD04972862
Purity
97%
Smiles
CCOc1ncc(F)cn1

Chemical Information

2-Ethoxy-5-fluoropyrimidine
CAS Number17148-48-0
PubChem CID23393989
IUPAC Name2-ethoxy-5-fluoropyrimidine
Molecular FormulaC6H7FN2O
Molecular Weight142.13
XLogP1
Topological Polar Surface Area35
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count10
Formal Charge0
Complexity93
SMILES
CCOC1=NC=C(C=N1)F
InChI
InChI=1S/C6H7FN2O/c1-2-10-6-8-3-5(7)4-9-6/h3-4H,2H2,1H3
InChIKey
DYBCJJAIMCCRDM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Ethoxy-5-fluoropyrimidine
CAS: 17148-48-0
CID: 23393989
Formula: C6H7FN2O
MW: 142.13
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight142.13
XLogP31
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass142.05424101
Monoisotopic Mass142.05424101
Topological Polar Surface Area35 Ų
Heavy Atom Count10
Formal Charge0
Complexity93.7
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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