5-(Trifluoromethyl)isoxazole-4-carbonyl chloride

Base Information

• Chemical Name: 5-(Trifluoromethyl)isoxazole-4-carbonyl chloride
• CAS No.: 75706-01-3
• Molecular Formula: C₅HClF₃NO₂
• Molecular Weight: 199.517
• DSSTox Substance ID: DTXSID30598849
• Wikidata: Q82494650
• Mol file: 75706-01-3.mol

Synonyms:75706-01-3;5-(trifluoromethyl)isoxazole-4-carbonyl chloride;4-ISOXAZOLECARBONYL CHLORIDE, 5-(TRIFLUOROMETHYL)-;5-(Trifluoromethyl)-1,2-oxazole-4-carbonyl chloride;SCHEMBL3054292;DTXSID30598849;DB-272602;5-trifluoromethyl-4-isoxazolecarboxylic acid chloride

Chemical Property of 5-(Trifluoromethyl)isoxazole-4-carbonyl chloride

Chemical Property:

• PSA: 43.10000
• LogP: 2.07240
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 198.9647905
• Heavy Atom Count: 12
• Complexity: 196

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=NOC(=C1C(=O)Cl)C(F)(F)F