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5-Fluorouracil-15N2

CAT: 0572-TRC-F596006-5MGSize: 5 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-F596006-5MGSize:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
68941-95-7
Synonyms
5-Fluoropyrimidine-2,4(1H,3H)-dione-1,3-15N2
Hazard Statement
Toxic if swallowed; UN number: UN2811; Packing Group: III
Smiles
O=C1C(F)=C[15NH]C(=O)[15NH]1
Molecular Formula
C4H3F(¹⁵N)2O2
Molecular Weight
132.06
InChI
InChI=1S/C4H3FN2O2/c5-2-1-6-4(9)7-3(2)8/h1H,(H2,6,7,8,9)/i6+1,7+1
Additionnal Information
IUPAC name: 5-fluoropyrimidine-2,4(1H,3H)-dione-1,3-15N2
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

5-Fluorouracil-15N2
CAS Number68941-95-7
PubChem CID16213520
IUPAC Name5-fluoro-(1,3-15N2)1H-pyrimidine-2,4-dione
Molecular FormulaC4H3FN2O2
Molecular Weight132.06
XLogP-0.9
Topological Polar Surface Area58.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Heavy Atom Count9
Formal Charge0
Complexity199
SMILES
C1=C(C(=O)[15NH]C(=O)[15NH]1)F
InChI
InChI=1S/C4H3FN2O2/c5-2-1-6-4(9)7-3(2)8/h1H,(H2,6,7,8,9)/i6+1,7+1
InChIKey
GHASVSINZRGABV-AKZCFXPHSA-N
Chemical Structure
2D Structure
2D structure of 5-Fluorouracil-15N2
CAS: 68941-95-7
CID: 16213520
Formula: C4H3FN2O2
MW: 132.06
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight132.06
XLogP3-0.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass132.01192529
Monoisotopic Mass132.01192529
Topological Polar Surface Area58.2 Ų
Heavy Atom Count9
Formal Charge0
Complexity199
Isotope Atom Count2
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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