structure of Ethyl 1-(4-chlorophenyl)-2,5-dihydro-5-oxo-1H-1,2,4-triazole-3-carboxylate

Ethyl 1-(4-chlorophenyl)-2,5-dihydro-5-oxo-1H-1,2,4-triazole-3-carboxylate

CAS No.: 1000573-52-3
M. Wt: 267.66800
M. Fa: C11H10ClN3O3
InChI Key: IFFMZQDVAISQLB-UHFFFAOYSA-N
Appearance: Solid

Names and Identifiers of 1000573-52-3

CAS Number

1000573-52-3

MDL Number

MFCD09877891

IUPAC Name

ethyl 1-(4-chlorophenyl)-5-oxo-4H-1,2,4-triazole-3-carboxylate

InChI

InChI=1S/C11H10ClN3O3/c1-2-18-10(16)9-13-11(17)15(14-9)8-5-3-7(12)4-6-8/h3-6H,2H2,1H3,(H,13,14,17)

InChIKey

IFFMZQDVAISQLB-UHFFFAOYSA-N

Canonical SMILES

CCOC(=O)C1=NN(C(=O)N1)C2=CC=C(C=C2)Cl

UNSPSC Code

12352100

Physical and chemical properties of 1000573-52-3

Exact Mass

267.04100

LogP

1.39070

Molecular Formula

C11H10ClN3O3

Molecular Weight

267.66800

PSA

76.98000

Safety Information of 1000573-52-3

Pictograms

Signal Word

 Warning

Safety Data Sheet
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