3-(3-Nitrophenyl)-4,5-dihydro-1h-1,2,4-triazol-5-one

Name: 3-(3-Nitrophenyl)-4,5-dihydro-1h-1,2,4-triazol-5-one
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CAS No. 57508-55-1
Cat. No. CS-0238382
Molecule weight206.16
Purity≥98%
MDL No.None

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3-(3-Nitrophenyl)-4,5-dihydro-1h-1,2,4-triazol-5-one|CS-0238382

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General Information

CAS No. 57508-55-1
Cat. No. CS-0238382
Purity ≥98%
MDL No. None
Storage 4°C, stored under nitrogen
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₈H₆N₄O₃
Molecular Weight 206.16
Synonym(s) 5-(3-Nitro-phenyl)-2,4-dihydro-[1,2,4]triazol-3-one
SMILES C1=CC(=CC(=C1)[N+](=O)[O-])C2=NC(=NN2)O

Safety Information

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GHS Pictogram : N/A	GHS No : N/A
Signal Word : N/A	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

TPSA 104.94
LogP 1.0855
H_Acceptors 5
H_Donors 2
Rotatable_Bonds 2

Other Classifications

Building Blocks Functional Group Nitro compounds

Building Blocks Skeleton Aromatic heterocycle compounds Triazole compounds

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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3-(3-Nitrophenyl)-4,5-dihydro-1h-1,2,4-triazol-5-one

CAS No. 57508-55-1

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