4-Fluoro-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)butan-2-one

Base Information

• Chemical Name: 4-Fluoro-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)butan-2-one
• CAS No.: 72965-02-7
• Molecular Formula: C8H12FN3O
• DSSTox Substance ID: DTXSID70509414
• Wikidata: Q82366967

Synonyms:72965-02-7;SCHEMBL9770742;DTXSID70509414;OQANLKSTTLUNQF-UHFFFAOYSA-N;4-Fluoro-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)butan-2-one;1-fluoro-2,2-dimethyl-4-(1,2,4-triazol-1-yl)-butan-3-one;3,3-dimethyl-4-fluoro-1-(1,2,4-triazol-1-yl)-2-butanone;3,3-dimethyl-4-fluoro-1-(1,2,4-triazol-1-yl)-butan-2-one;3,3-dimethyl-4-fluoro-1-(1,2,4-triazol-1-yl)butan-2-one

Chemical Property of 4-Fluoro-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)butan-2-one

Chemical Property:

• XLogP3: 1.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 185.09644018
• Heavy Atom Count: 13
• Complexity: 196

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(CF)C(=O)CN1C=NC=N1

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