chempirical

5-Chlorouracil

C4H3ClN2O2CAS 1820-81-1146.53 g/mol

Open in Covalent MOL file
HONClOHN
Aryl halidePhenol

Properties

Molecular formula
C4H3ClN2O2
Molar mass
146.53 g/mol
Exact mass
145.9883 Da
Melting point
above 300 °C
logP
0.54Crippen estimate
Polar surface area
66.2 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
0

Identifiers

CAS number
1820-81-1
SMILES
Oc1ncc(Cl)c(O)n1
InChIKey
ZFTBZKVVGZNMJR-UHFFFAOYSA-N
InChI
InChI=1S/C4H3ClN2O2/c5-2-1-6-4(9)7-3(2)8/h1H,(H2,6,7,8,9)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

7 names
  • 2,4(1H,3H)-Pyrimidinedione, 5-chloro-
  • Uracil, 5-chloro-
  • 5-Chloro-2,4(1H,3H)-pyrimidinedione
  • 5-Chloro-2,4-pyrimidinedione
  • NSC 28172
  • 5-Chloro-2,4-dihydroxypyrimidine
  • 5-Chloropyrimidine-2,4-diol

Work with 5-Chlorouracil

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

5-Bromouracil51-20-757 % similar 5-Hydroxy-2,4(1H,3H)-pyrimidinedione20636-41-356 % similar 5-Fluorouracil51-21-852 % similar Thymine65-71-452 % similar 5-Iodouracil696-07-152 % similar 5-Aminouracil932-52-552 % similar 5-(Hydroxymethyl)uracil4433-40-348 % similar 5-Formyluracil1195-08-047 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

6-Chlorouracil4270-27-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook