3-[1-(2-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-3-oxopropanenitrile

Name: 3-[1-(2-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-3-oxopropanenitrile
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CAS No. 327084-91-3
Cat. No. CS-0220024
Purity≥95%
MDL No.None

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3-[1-(2-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-3-oxopropanenitrile|CS-0220024

Structure of 327084-91-3

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General Information

CAS No. 327084-91-3
Cat. No. CS-0220024
Purity ≥95%
MDL No. None
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₅H₁₃FN₂O
Molecular Weight 256.27
Synonym(s) 3-[1-(2-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-3-oxopropanenitrile
SMILES N#CCC(C1=C(C)N(C2=CC=CC=C2F)C(C)=C1)=O

Safety Information

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GHS Pictogram :	GHS No : GHS07
Signal Word : Warning	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : H302-H312-H332
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P501

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Computational Chemistry Data

TPSA 45.79
LogP 3.32962
H_Acceptors 3
H_Donors 0
Rotatable_Bonds 3

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-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-3-oxopropanenitrile

CAS No. 327084-91-3

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