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1312815-35-2

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1312815-35-2 Structure

1312815-35-2 Structure
IdentificationBack Directory
[Name]

FeBuxostat Impurity 18
[CAS]

1312815-35-2
[Synonyms]

Febuxostat 35
5-Thiazolecarboxylic acid, 2-(3-formyl-4-hydroxyphenyl)-4-methyl-
Febuxostat Impurity 7/2-(3-Formyl-4-hydroxyphenyl)-4-methylthiazole-5-carboxylic acid
[Molecular Formula]

C12H9NO4S
[MOL File]

1312815-35-2.mol
[Molecular Weight]

263.27
Chemical PropertiesBack Directory
[Boiling point ]

504.3±60.0 °C(Predicted)
[density ]

1.493±0.06 g/cm3(Predicted)
[pka]

2.33±0.37(Predicted)
[InChI]

InChI=1S/C12H9NO4S/c1-6-10(12(16)17)18-11(13-6)7-2-3-9(15)8(4-7)5-14/h2-5,15H,1H3,(H,16,17)
[InChIKey]

ZNQXEYNLIWHYMY-UHFFFAOYSA-N
[SMILES]

S1C(C(O)=O)=C(C)N=C1C1=CC=C(O)C(C=O)=C1
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