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916420-59-2

916420-59-2 structural image
Product Name: 3-METHYL-5-(TRIFLUOROMETHOXY)BENZONITRILE
Formula: C9H6F3NO
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SAFETY INFORMATION

Signal word Danger
Pictogram(s)

Skull and Crossbones
Acute Toxicity
GHS06
GHS Hazard Statements H311:Acute toxicity,dermal
H315:Skin corrosion/irritation
H319:Serious eye damage/eye irritation
Precautionary Statement Codes P280:Wear protective gloves/protective clothing/eye protection/face protection.

COMPUTED DESCRIPTORS

Molecular Weight 201.14 g/mol
XLogP3 3.2
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 1
Exact Mass 201.04014830 g/mol
Monoisotopic Mass 201.04014830 g/mol
Topological Polar Surface Area 33 Ų
Heavy Atom Count 14
Formal Charge 0
Complexity 242
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