4-(2-Hydroxyethyl)-2,5-dimethyl-1-((2-nitrophenyl)sulfonyl)-1,2-dihydro-3H-pyrazol-3-one

Name: 4-(2-Hydroxyethyl)-2,5-dimethyl-1-((2-nitrophenyl)sulfonyl)-1,2-dihydro-3H-pyrazol-3-one
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CAS No. 866039-86-3
Cat. No. CS-0546045
Molecule weight341.34
Purity≥98%
MDL No.None

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Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
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4-(2-Hydroxyethyl)-2,5-dimethyl-1-((2-nitrophenyl)sulfonyl)-1,2-dihydro-3H-pyrazol-3-one|CS-0546045

Structure of 866039-86-3

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General Information

CAS No. 866039-86-3
Cat. No. CS-0546045
Purity ≥98%
MDL No. None
Storage Sealed in dry,2-8℃
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₃H₁₅N₃O₆S
Molecular Weight 341.34
Synonym(s) 4-(2-HYDROXYETHYL)-2,5-DIMETHYL-1-[(2-NITROPHENYL)SULFONYL]-1,2-DIHYDRO-3H-PYRAZOL-3-ONE
SMILES CC1=C(C(=O)N(N1S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])C)CCO

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 124.44
LogP 0.17522
H_Acceptors 8
H_Donors 1
Rotatable_Bonds 5

Other Classifications

Building Blocks Functional Group Sulfone

Building Blocks Functional Group Nitro compounds

Building Blocks Skeleton Aromatic heterocycle compounds Pyrazole compounds

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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4-(2-Hydroxyethyl)-2,5-dimethyl-1-((2-nitrophenyl)sulfonyl)-1,2-dihydro-3H-pyrazol-3-one

CAS No. 866039-86-3

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