HRO

5-chloro-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid

Created:2012-11-19
Last modified:  2021-03-01

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Chemical Details

Formal Charge0
Atom Count15
Chiral Atom Count0
Bond Count15
Aromatic Bond Count0
2D diagram of HRO

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Chemical Component Summary

Name5-chloro-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid
Synonyms5-Chloroorotic acid
Systematic Name (OpenEye OEToolkits)5-chloranyl-2,4-bis(oxidanylidene)-1H-pyrimidine-6-carboxylic acid
FormulaC5 H3 Cl N2 O4
Molecular Weight190.541
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C1NC(C(=O)O)=C(Cl)C(=O)N1
SMILESCACTVS3.370OC(=O)C1=C(Cl)C(=O)NC(=O)N1
SMILESOpenEye OEToolkits1.7.6C1(=C(NC(=O)NC1=O)C(=O)O)Cl
Canonical SMILESCACTVS3.370 OC(=O)C1=C(Cl)C(=O)NC(=O)N1
Canonical SMILESOpenEye OEToolkits1.7.6 C1(=C(NC(=O)NC1=O)C(=O)O)Cl
InChIInChI1.03 InChI=1S/C5H3ClN2O4/c6-1-2(4(10)11)7-5(12)8-3(1)9/h(H,10,11)(H2,7,8,9,12)
InChIKeyInChI1.03 AJYLJEAORVKEHN-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 233338