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121195-03-7

121195-03-7 structural image
Product Name: Ethyl 5-thien-2-yl-1H-pyrazole-3-carboxylate
Formula: C10H10N2O2S
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CHEMICAL AND PHYSICAL PROPERTIES

Solubility 17 [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
H312:Acute toxicity,dermal
H332:Acute toxicity,inhalation
Precautionary Statement Codes P280:Wear protective gloves/protective clothing/eye protection/face protection.

COMPUTED DESCRIPTORS

Molecular Weight 222.27 g/mol
XLogP3 2.1
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 4
Exact Mass 222.04629874 g/mol
Monoisotopic Mass 222.04629874 g/mol
Topological Polar Surface Area 83.2 Ų
Heavy Atom Count 15
Formal Charge 0
Complexity 238
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