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Metaflumizone 100mg

CAT: 0628-A18830-100Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0628-A18830-100Size:100 mg
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CAS Number
139968-49-3

Chemical Information

Metaflumizone

an insecticide

CAS Number139968-49-3
PubChem CID11614934
IUPAC Name1-[(E)-[2-(4-cyanophenyl)-1-[3-(trifluoromethyl)phenyl]ethylidene]amino]-3-[4-(trifluoromethoxy)phenyl]urea
Molecular FormulaC24H16F6N4O2
Molecular Weight506.4
XLogP6.2
Topological Polar Surface Area86.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count6
Heavy Atom Count36
Formal Charge0
Complexity806
SMILES
C1=CC(=CC(=C1)C(F)(F)F)/C(=N/NC(=O)NC2=CC=C(C=C2)OC(F)(F)F)/CC3=CC=C(C=C3)C#N
InChI
InChI=1S/C24H16F6N4O2/c25-23(26,27)18-3-1-2-17(13-18)21(12-15-4-6-16(14-31)7-5-15)33-34-22(35)32-19-8-10-20(11-9-19)36-24(28,29)30/h1-11,13H,12H2,(H2,32,34,35)/b33-21+
InChIKey
MIFOMMKAVSCNKQ-QNKGDIEWSA-N
Chemical Structure
2D Structure
2D structure of Metaflumizone
CAS: 139968-49-3
CID: 11614934
Formula: C24H16F6N4O2
MW: 506.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight506.4
XLogP36.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count6
Exact Mass506.11774474
Monoisotopic Mass506.11774474
Topological Polar Surface Area86.5 Ų
Heavy Atom Count36
Formal Charge0
Complexity806
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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