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672-47-9

672-47-9 structural image
Product Name: 2-(TRIFLUOROMETHYL)PYRIMIDINE-4,6-DIOL
Formula: C5H3F3N2O2
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SAFETY INFORMATION

Signal word Danger
Pictogram(s)

Skull and Crossbones
Acute Toxicity
GHS06
GHS Hazard Statements H301:Acute toxicity,oral
Precautionary Statement Codes P301+P310:IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician.

COMPUTED DESCRIPTORS

Molecular Weight 180.08 g/mol
XLogP3 0.2
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 0
Exact Mass 180.01466183 g/mol
Monoisotopic Mass 180.01466183 g/mol
Topological Polar Surface Area 61.7 Ų
Heavy Atom Count 12
Formal Charge 0
Complexity 279
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