3-{1-[(2-chlorophenyl)methyl]-2,5-dimethyl-1h-pyrrol-3-yl}-3-oxopropanenitrile

Name: 3-{1-[(2-chlorophenyl)methyl]-2,5-dimethyl-1h-pyrrol-3-yl}-3-oxopropanenitrile
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CAS No. 568574-79-8
Cat. No. CS-0220355
Molecule weight286.76
Purity≥95%
MDL No.None

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3-{1-[(2-chlorophenyl)methyl]-2,5-dimethyl-1h-pyrrol-3-yl}-3-oxopropanenitrile|CS-0220355

Structure of 568574-79-8

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General Information

CAS No. 568574-79-8
Cat. No. CS-0220355
Purity ≥95%
MDL No. None
Storage Sealed in dry,2-8℃
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₆H₁₅ClN₂O
Molecular Weight 286.76
Synonym(s) None
SMILES N#CCC(C1=C(C)N(CC2=CC=CC=C2Cl)C(C)=C1)=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 45.79
LogP 3.90302
H_Acceptors 3
H_Donors 0
Rotatable_Bonds 4

Other Classifications

Building Blocks Functional Group Cyanide/Nitrile

Building Blocks Functional Group Ketone

Building Blocks Skeleton Aromatic heterocycle compounds Pyrrole compounds

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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3-{1-[(2-chlorophenyl)methyl]-2,5-dimethyl-1h-pyrrol-3-yl}-3-oxopropanenitrile

CAS No. 568574-79-8

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