5-Chlorouracil

C₄H₃ClN₂O₂CAS 1820-81-1146.53 g/mol

Open in Covalent MOL file

Aryl halide Phenol

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 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 0

Hazards

Danger

H301 Toxic if swallowed75% of notifiers
H302 Harmful if swallowed25% of notifiers
H341 Suspected of causing genetic defects75% of notifiers

Aggregated from 4 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P264, P270, P280, P301+P316, P301+P317, P318, P321, P330, P405, P501

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 Pyrimidine-2,4,5-triol20636-41-356 % 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