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Fluorouracil EP Impurity E

CAT: 1596-AR-F01746-02Size: 50 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-F01746-02Size:50 Units
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CAS Number
1820-81-1
Synonyms
5-chloropyrimidine-2,4 (1H,3H) -dione;5-Chloro-2,4 (1H,3H) -pyrimidinedione; 5-Chloro-2,4-pyrimidinedione; NSC 28172; Fluorouracil EP Impurity E;5-Chlorouracil
Molecular Formula
C4H3ClN2O2
Molecular Weight
146.53
API Name
Fluorouracil

Chemical Information

5-Chlorouracil

5-chlorouracil is an organochlorine compound consisting of uracil having an chloro substituent at the 5-position. It is functionally related to a uracil.

CAS Number1820-81-1
PubChem CID15758
IUPAC Name5-chloro-1H-pyrimidine-2,4-dione
Molecular FormulaC4H3ClN2O2
Molecular Weight146.53
XLogP-0.3
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)Cl
InChI
InChI=1S/C4H3ClN2O2/c5-2-1-6-4(9)7-3(2)8/h1H,(H2,6,7,8,9)
InChIKey
ZFTBZKVVGZNMJR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-Chlorouracil
CAS: 1820-81-1
CID: 15758
Formula: C4H3ClN2O2
MW: 146.53
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight146.53
XLogP3-0.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass145.9883050
Monoisotopic Mass145.9883050
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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