1-(4-Bromo-5-methyl-3-(perfluoropropyl)-1H-pyrazol-1-yl)ethan-1-one

Name: 1-(4-Bromo-5-methyl-3-(perfluoropropyl)-1H-pyrazol-1-yl)ethan-1-one
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CAS No. 808764-22-9
Cat. No. CS-0546452
Molecule weight371.05
Purity≥98%
MDL No.MFCD00153615

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1-(4-Bromo-5-methyl-3-(perfluoropropyl)-1H-pyrazol-1-yl)ethan-1-one|CS-0546452

Structure of 808764-22-9

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General Information

CAS No. 808764-22-9
Cat. No. CS-0546452
Purity ≥98%
MDL No. MFCD00153615
Storage Sealed in dry,2-8℃
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₉H₆BrF₇N₂O
Molecular Weight 371.05
Synonym(s) 1-[4-Bromo-3-(1,1,2,2,3,3,3-heptafluoropropyl)-5-methylpyrazol-1-yl]ethanone
SMILES CC1=C(C(=NN1C(=O)C)C(C(C(F)(F)F)(F)F)(F)F)Br

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 34.89
LogP 3.90352
H_Acceptors 3
H_Donors 0
Rotatable_Bonds 2

Other Classifications

Building Blocks Functional Group Bromide

Building Blocks Skeleton Aromatic heterocycle compounds Pyrazole compounds

Key Words

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1-(4-Bromo-5-methyl-3-(perfluoropropyl)-1H-pyrazol-1-yl)ethan-1-one

CAS No. 808764-22-9

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