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821768-06-3

821768-06-3 structural image
Product Name: 4-[3-(Trifluoromethyl)-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-1-piperazinecarboxamide
Formula: C17H15F6N5O
Synonyms: N1-(3-Trifluoromethylpyrid-2-yl)-N4-(4-trifluoromethylpyrid-2-yl)carbamoylpiperazine
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SAFETY INFORMATION

Signal word Danger
Pictogram(s)

Skull and Crossbones
Acute Toxicity
GHS06
GHS Hazard Statements H301:Acute toxicity,oral
H319:Serious eye damage/eye irritation
Precautionary Statement Codes P301+P310:IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician.
P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

COMPUTED DESCRIPTORS

Molecular Weight 419.32 g/mol
XLogP3 3
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 10
Rotatable Bond Count 2
Exact Mass 419.11807909 g/mol
Monoisotopic Mass 419.11807909 g/mol
Topological Polar Surface Area 61.4 Ų
Heavy Atom Count 29
Formal Charge 0
Complexity 564
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes