Dimethyl 2-methyl-2-(2-nitro-4-(trifluoromethyl)phenyl)malonate

Name: Dimethyl 2-methyl-2-(2-nitro-4-(trifluoromethyl)phenyl)malonate
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CAS No. 860788-98-3
Cat. No. CS-0579814
Molecule weight335.23
Purity≥98%
MDL No.None

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Dimethyl 2-methyl-2-(2-nitro-4-(trifluoromethyl)phenyl)malonate|CS-0579814

Structure of 860788-98-3

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General Information

CAS No. 860788-98-3
Cat. No. CS-0579814
Purity ≥98%
MDL No. None
Storage Sealed in dry,2-8℃
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₃H₁₂F₃NO₆
Molecular Weight 335.23
Synonym(s) Dimethyl 2-methyl-2-[2-nitro-4-(trifluoromethyl)phenyl]malonate
SMILES CC(C1=C(C=C(C=C1)C(F)(F)F)[N+](=O)[O-])(C(=O)OC)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 95.74
LogP 2.2173
H_Acceptors 6
H_Donors 0
Rotatable_Bonds 4

Other Classifications

Building Blocks Functional Group Nitro compounds

Building Blocks Functional Group Ester

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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Dimethyl 2-methyl-2-(2-nitro-4-(trifluoromethyl)phenyl)malonate

CAS No. 860788-98-3

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