4-((4-Bromophenyl)(1H-1,2,4-triazol-1-yl)methyl)benzonitrile

Base Information

• Chemical Name: 4-((4-Bromophenyl)(1H-1,2,4-triazol-1-yl)methyl)benzonitrile
• CAS No.: 143030-54-0
• Molecular Formula: C16H11BrN4
• Molecular Weight: 339.18900
• UNII: L9XGL8794K
• Mol file: 143030-54-0.mol

Synonyms:143030-54-0;4-Descyano-4-bromo-letrozole;4-[(4-Bromophenyl)-(1,2,4-triazol-1-yl)methyl]benzonitrile;4-((4-Bromophenyl)(1H-1,2,4-triazol-1-yl)methyl)benzonitrile;Letrozole Impurity E;L9XGL8794K;SCHEMBL5430341;AC-28365;4-[(4-Bromophenyl)-1H-1,2,4-triazol-1-ylmethyl]benzonitrile;Benzonitrile, 4-[(4-bromophenyl)-1H-1,2,4-triazol-1-ylmethyl]-

Chemical Property of 4-((4-Bromophenyl)(1H-1,2,4-triazol-1-yl)methyl)benzonitrile

Chemical Property:

• PSA: 54.50000
• LogP: 3.54998
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 338.01671
• Heavy Atom Count: 21
• Complexity: 377

Purity/Quality:

> 95% ^*data from raw suppliers

4-Descyano-4-bromo-letrozole ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C#N)C(C2=CC=C(C=C2)Br)N3C=NC=N3
• Uses: 4-Descyano-4-bromo-letrozole is an impurity of Letrozole (L330100), a nonsteroidal aromatase inhibitor structurally related to Fadrozole. Antineoplastic.

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