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5-Iodouracil extrapure, 98%

CAT: 0565-99918-01Size: 5 gDry Ice: NoHazardous: No
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Description
Part B
CAS Number
696-07-1
Storage Temperature
0 - 4°C

Chemical Information

5-Iodouracil

5-iodouracil is an organoiodine compound consisting of uracil having an iodo substituent at the 5-position. It has a role as an antimetabolite. It is functionally related to a uracil.

CAS Number696-07-1
PubChem CID69672
IUPAC Name5-iodo-1H-pyrimidine-2,4-dione
Molecular FormulaC4H3IN2O2
Molecular Weight237.98
XLogP0
Topological Polar Surface Area58.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count9
Formal Charge0
Complexity199
SMILES
C1=C(C(=O)NC(=O)N1)I
InChI
InChI=1S/C4H3IN2O2/c5-2-1-6-4(9)7-3(2)8/h1H,(H2,6,7,8,9)
InChIKey
KSNXJLQDQOIRIP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-Iodouracil
CAS: 696-07-1
CID: 69672
Formula: C4H3IN2O2
MW: 237.98
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight237.98
XLogP30
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass237.92392
Monoisotopic Mass237.92392
Topological Polar Surface Area58.2 Ų
Heavy Atom Count9
Formal Charge0
Complexity199
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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