3-(4-Fluorophenyl)-3-oxo-2-(pyridin-4-yl)propanenitrile

Name: 3-(4-Fluorophenyl)-3-oxo-2-(pyridin-4-yl)propanenitrile
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CAS No. 148671-42-5
Cat. No. CS-0463905
Purity≥98%
MDL No.MFCD18071009

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3-(4-Fluorophenyl)-3-oxo-2-(pyridin-4-yl)propanenitrile|CS-0463905

Structure of 148671-42-5

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General Information

CAS No. 148671-42-5
Cat. No. CS-0463905
Purity ≥98%
MDL No. MFCD18071009
Storage Sealed in dry,2-8℃
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₄H₉FN₂O
Molecular Weight 240.23
Synonym(s) 3-(4-Fluorophenyl)-3-oxo-2-(4-pyridinyl)propanenitrile
SMILES C1=C(C=CC(=C1)F)C(=O)C(C#N)C2=CC=NC=C2

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 53.75
LogP 2.71078
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 Pyridine compounds

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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3-(4-Fluorophenyl)-3-oxo-2-(pyridin-4-yl)propanenitrile

CAS No. 148671-42-5

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