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5-Chlorouracil

CAT: 0572-TRC-C423775-5GSize: 5 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-C423775-5GSize:5 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1820-81-1
Synonyms
Fluorouracil Imp. E (EP); Fluorouracil USP Related Compound E; Fluorouracil USP RC E; 5-Chloropyrimidine-2,4(1H,3H)-dione; 5-Chlorouracil; Fluorouracil Related Compound E; Fluorouracil Impurity E
Hazard Statement
Not a hazardous substance according to GHS.
Purity
>95% (HPLC)
Smiles
ClC1=CNC(=O)NC1=O
Molecular Formula
C4 H3 Cl N2 O2
Molecular Weight
146.53
InChI
InChI=1S/C14H21N3O.2ClH/c1-17-10-5-8-13(9-11-17)15-16-14(18)12-6-3-2-4-7-12;;/h2-4,6-7,13,15H,5,8-11H2,1H3,(H,16,18);2*1H
Additionnal Information
IUPAC name: 5-chloro-1H-pyrimidine-2,4-dione
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

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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