Dimethyl 2-(3,5-difluorobenzoyl)-2-(2-(4-(methylsulfonyl)phenyl)-2-oxoethyl)malonate

Name: Dimethyl 2-(3,5-difluorobenzoyl)-2-(2-(4-(methylsulfonyl)phenyl)-2-oxoethyl)malonate
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CAS No. 1048912-57-7
Cat. No. CS-0586700
Purity≥98%
MDL No.None

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Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
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Dimethyl 2-(3,5-difluorobenzoyl)-2-(2-(4-(methylsulfonyl)phenyl)-2-oxoethyl)malonate|CS-0586700

Structure of 1048912-57-7

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General Information

CAS No. 1048912-57-7
Cat. No. CS-0586700
Purity ≥98%
MDL No. None
Storage Sealed in dry,2-8℃
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₂₁H₁₈F₂O₈S
Molecular Weight 468.42
Synonym(s) Propanedioic acid, 2-(3,5-difluorobenzoyl)-2-[2-[4-(methylsulfonyl)phenyl]-2-oxoethyl]-, dimethyl ester
SMILES COC(=O)C(CC(=O)C1=CC=C(C=C1)S(=O)(=O)C)(C(=O)C2=CC(=CC(=C2)F)F)C(=O)OC

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 120.88
LogP 2.1564
H_Acceptors 8
H_Donors 0
Rotatable_Bonds 8

Other Classifications

Building Blocks Functional Group Fluoride

Building Blocks Functional Group Ketone

Building Blocks Functional Group Ester

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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Dimethyl 2-(3,5-difluorobenzoyl)-2-(2-(4-(methylsulfonyl)phenyl)-2-oxoethyl)malonate

CAS No. 1048912-57-7

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