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148451-96-1

148451-96-1 structural image
Product Name: AC-TRP-3,5-BIS(TRIFLUOROMETHYL)BENZYL ESTER
Formula: C22H18F6N2O3
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CHEMICAL AND PHYSICAL PROPERTIES

Solubility 3.4 [ug/mL] (The mean of the results at pH 7.4)

SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H302:Acute toxicity,oral
H315:Skin corrosion/irritation
H319:Serious eye damage/eye irritation
H335:Specific target organ toxicity, single exposure;Respiratory tract irritation
Precautionary Statement Codes P261:Avoid breathing dust/fume/gas/mist/vapours/spray.
P280:Wear protective gloves/protective clothing/eye protection/face protection.
P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.
P302+P352:IF ON SKIN: wash with plenty of soap and water.
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 472.4 g/mol
XLogP3 4.7
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 9
Rotatable Bond Count 7
Exact Mass 472.12216141 g/mol
Monoisotopic Mass 472.12216141 g/mol
Topological Polar Surface Area 71.2 Ų
Heavy Atom Count 33
Formal Charge 0
Complexity 677
Isotope Atom Count 0
Defined Atom Stereocenter Count 1
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes