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ChemicalBook--->CAS DataBase List--->5097-86-9

5097-86-9

5097-86-9 Structure

5097-86-9 Structure
IdentificationBack Directory
[Name]

4-(4-Chlorophenyl)-1H-1,2,4-triazol-5(4H)-one
[CAS]

5097-86-9
[Synonyms]

4-(4-Chlorophenyl)-1H-1,2,4-triazol-5(4H)-one
3H-1,2,4-Triazol-3-one, 4-(4-chlorophenyl)-2,4-dihydro-
[Molecular Formula]

C8H6ClN3O
[MDL Number]

MFCD11053882
[MOL File]

5097-86-9.mol
[Molecular Weight]

195.61
Chemical PropertiesBack Directory
[Melting point ]

200 °C
[density ]

1.49±0.1 g/cm3(Predicted)
[pka]

9.05±0.20(Predicted)
[InChI]

InChI=1S/C8H6ClN3O/c9-6-1-3-7(4-2-6)12-5-10-11-8(12)13/h1-5H,(H,11,13)
[InChIKey]

PMXUOAFWKPAZIG-UHFFFAOYSA-N
[SMILES]

N1=CN(C2=CC=C(Cl)C=C2)C(=O)N1
Safety DataBack Directory
[HS Code ]

2933998090
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