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2-Fluoro-5-pyrimidinol

CAT: 0926-GAC81896-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0926-GAC81896-01Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1256818-96-8
Smiles
C1=C (C=NC (=N1) F) O
Molecular Formula
C4H3FN2O
Molecular Weight
114.08 g/mol
Controlled
No

Chemical Information

2-Fluoropyrimidin-5-ol
CAS Number1256818-96-8
PubChem CID90720950
IUPAC Name2-fluoropyrimidin-5-ol
Molecular FormulaC4H3FN2O
Molecular Weight114.08
XLogP0.3
Topological Polar Surface Area46
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Heavy Atom Count8
Formal Charge0
Complexity72
SMILES
C1=C(C=NC(=N1)F)O
InChI
InChI=1S/C4H3FN2O/c5-4-6-1-3(8)2-7-4/h1-2,8H
InChIKey
IGGYUTVDIMQTGM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Fluoropyrimidin-5-ol
CAS: 1256818-96-8
CID: 90720950
Formula: C4H3FN2O
MW: 114.08
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight114.08
XLogP30.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Exact Mass114.02294089
Monoisotopic Mass114.02294089
Topological Polar Surface Area46 Ų
Heavy Atom Count8
Formal Charge0
Complexity72.4
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