2-(2-(6-Chloropyridin-3-yl)-2-oxoethyl)benzonitrile

Name: 2-(2-(6-Chloropyridin-3-yl)-2-oxoethyl)benzonitrile
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CAS No. 890100-44-4
Cat. No. CS-0588423
Molecule weight256.69
Purity≥98%
MDL No.None

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2-(2-(6-Chloropyridin-3-yl)-2-oxoethyl)benzonitrile|CS-0588423

Structure of 890100-44-4

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General Information

CAS No. 890100-44-4
Cat. No. CS-0588423
Purity ≥98%
MDL No. None
Storage Sealed in dry,2-8℃
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₄H₉ClN₂O
Molecular Weight 256.69
Synonym(s) 2-Chloro-5-[2-(2-cyanophenyl)-1-oxoethyl]pyridine
SMILES C1=CC=C(C(=C1)CC(=O)C2=CN=C(C=C2)Cl)C#N

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 3.03208
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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2-(2-(6-Chloropyridin-3-yl)-2-oxoethyl)benzonitrile

CAS No. 890100-44-4

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