3-Fluoro-2-(1h-1,2,4-triazol-1-yl)benzonitrile

Name: 3-Fluoro-2-(1h-1,2,4-triazol-1-yl)benzonitrile
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CAS No. 870562-65-5
Cat. No. CS-0674042
Molecule weight188.16
Purity≥98%
MDL No.MFCD18906812

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3-Fluoro-2-(1h-1,2,4-triazol-1-yl)benzonitrile|CS-0674042

Structure of 870562-65-5

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General Information

CAS No. 870562-65-5
Cat. No. CS-0674042
Purity ≥98%
MDL No. MFCD18906812
Storage Sealed in dry,2-8℃
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₉H₅FN₄
Molecular Weight 188.16
Synonym(s) None
SMILES C1=CC(=C(C(=C1)F)N2C=NC=N2)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 54.5
LogP 1.27808
H_Acceptors 4
H_Donors 0
Rotatable_Bonds 1

Other Classifications

Building Blocks Functional Group Cyanide/Nitrile

Building Blocks Skeleton Aromatic heterocycle compounds Triazole compounds

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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3-Fluoro-2-(1h-1,2,4-triazol-1-yl)benzonitrile

CAS No. 870562-65-5

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