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(Z) -Fenpyroximate

CAT: 0926-ZFA05457-03Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0926-ZFA05457-03Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
149054-57-9
Smiles
C1C (=NN=C1C (=O) O) C2=CC=CC=C2
Molecular Formula
C20H19N3O4
Molecular Weight
365.4 g/mol
Controlled
No

Chemical Information

(E)-Fenpyroximate (free acid)
CAS Number149054-57-9
PubChem CID14300682
IUPAC Name4-[[(E)-(1,3-dimethyl-5-phenoxypyrazol-4-yl)methylideneamino]oxymethyl]benzoic acid
Molecular FormulaC20H19N3O4
Molecular Weight365.4
XLogP3.6
Topological Polar Surface Area85.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Heavy Atom Count27
Formal Charge0
Complexity501
SMILES
CC1=NN(C(=C1/C=N/OCC2=CC=C(C=C2)C(=O)O)OC3=CC=CC=C3)C
InChI
InChI=1S/C20H19N3O4/c1-14-18(19(23(2)22-14)27-17-6-4-3-5-7-17)12-21-26-13-15-8-10-16(11-9-15)20(24)25/h3-12H,13H2,1-2H3,(H,24,25)/b21-12+
InChIKey
ZGSVZVKVXOZKSG-CIAFOILYSA-N
Chemical Structure
2D Structure
2D structure of (E)-Fenpyroximate (free acid)
CAS: 149054-57-9
CID: 14300682
Formula: C20H19N3O4
MW: 365.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight365.4
XLogP33.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Exact Mass365.13755610
Monoisotopic Mass365.13755610
Topological Polar Surface Area85.9 Ų
Heavy Atom Count27
Formal Charge0
Complexity501
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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