Home Other Building Blocks 6-Chlorouracil

6-Chlorouracil

CAS No.:
4270-27-3
Catalog Number:
AG0034CW
Molecular Formula:
C4H3ClN2O2
Molecular Weight:
146.5318
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
98%
In Stock USA
United States
$13
- +
25g
98%
In Stock USA
United States
$25
- +
100g
98%
In Stock USA
United States
$75
- +
500g
98%
In Stock USA
United States
$300
- +
Product Description
Catalog Number:
AG0034CW
Chemical Name:
6-Chlorouracil
CAS Number:
4270-27-3
Molecular Formula:
C4H3ClN2O2
Molecular Weight:
146.5318
MDL Number:
MFCD01142747
IUPAC Name:
6-chloro-1H-pyrimidine-2,4-dione
InChI:
InChI=1S/C4H3ClN2O2/c5-2-1-3(8)7-4(9)6-2/h1H,(H2,6,7,8,9)
InChI Key:
PKUFNWPSFCOSLU-UHFFFAOYSA-N
SMILES:
Clc1cc(=O)[nH]c(=O)[nH]1
EC Number:
224-258-0
Properties
Complexity:
199  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
145.988g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
146.53g/mol
Monoisotopic Mass:
145.988g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
58.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3  
Literature
Title Journal
Divergent synthesis of novel 9-deazaxanthine derivatives via late-stage cross-coupling reactions. Organic & biomolecular chemistry 20121128
Protonation preferentially stabilizes minor tautomers of the halouracils: IRMPD action spectroscopy and theoretical studies. Journal of the American Society for Mass Spectrometry 20120901
Investigation of trypanothione reductase as a drug target in Trypanosoma brucei. ChemMedChem 20091207
Application of ionic liquids in high performance reversed-phase chromatography. International journal of molecular sciences 20090601
Novel 5-dimethylamino-1- and 2-indanyl uracil derivatives. The Journal of organic chemistry 20060901
Syntheses, pi-stacking interactions and base-pairings of uracil pyridinium salts and uracilyl betaines with nucleobases. Organic & biomolecular chemistry 20060821
Influence of halogenation on the properties of uracil and its noncovalent interactions with alkali metal ions. Threshold collision-induced dissociation and theoretical studies. Journal of the American Chemical Society 20041215
Electron attachment to chlorouracil: a comparison between 6-ClU and 5-ClU. The Journal of chemical physics 20040108
Structure-activity relationship of ligands of uracil phosphoribosyltransferase from Toxoplasma gondii. Biochemical pharmacology 19940817
Properties