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Insecticidal agent 2

CAT: 0804-HY-153732-06Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-153732-06Size:250 mg
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Description
Insecticidal agent 2 (example 2) is a pesticide that exhibits potent growth-retarding activity against pests[1].
CAS Number
201593-85-3
UNSPSC
12352005
Hazard Statement
H302-H315-H319
Target
Parasite
Type
Reference compound
Related Pathways
Anti-infection
Applications
COVID-19-immunoregulation
Field of Research
Infection
Assay Protocol
https://www.medchemexpress.com/insecticidal-agent-2.html
Solubility
10 mM in DMSO
Smiles
O=C(NC1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1Cl)NC(C2=C(F)C=CC=C2)=O
Molecular Formula
C16H8ClF7N2O2
Molecular Weight
428.69
Precautions
P264-P270-P280-P302+P352-P305+P351+P338-P330-P362+P364-P501
References & Citations
[1]Jung Ho Kim, et al. 2-chloro-3,5-bis (trifluoromethyl) phenyl benzoyl urea derivative and process for preparing the same. Patent WO1998000394A1.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Insecticidal agent 2
CAS Number201593-85-3
PubChem CID19360274
IUPAC NameN-[[2-chloro-3,5-bis(trifluoromethyl)phenyl]carbamoyl]-2-fluorobenzamide
Molecular FormulaC16H8ClF7N2O2
Molecular Weight428.69
XLogP5.4
Topological Polar Surface Area58.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count2
Heavy Atom Count28
Formal Charge0
Complexity584
SMILES
C1=CC=C(C(=C1)C(=O)NC(=O)NC2=CC(=CC(=C2Cl)C(F)(F)F)C(F)(F)F)F
InChI
InChI=1S/C16H8ClF7N2O2/c17-12-9(16(22,23)24)5-7(15(19,20)21)6-11(12)25-14(28)26-13(27)8-3-1-2-4-10(8)18/h1-6H,(H2,25,26,27,28)
InChIKey
RYQUQFILGZVMAB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Insecticidal agent 2
CAS: 201593-85-3
CID: 19360274
Formula: C16H8ClF7N2O2
MW: 428.69
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight428.69
XLogP35.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count2
Exact Mass428.0162523
Monoisotopic Mass428.0162523
Topological Polar Surface Area58.2 Ų
Heavy Atom Count28
Formal Charge0
Complexity584
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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