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Teflubenzuron

CAT: 0572-TRC-T013780-1GSize: 1 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-T013780-1GSize:1 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
83121-18-0
Hazard Statement
Very toxic to aquatic life; UN number: UN3077; Packing Group: III
Purity
>95% (HPLC)
Smiles
Fc1cccc(F)c1C(=O)NC(=O)Nc2cc(Cl)c(F)c(Cl)c2F
Molecular Formula
C14 H6 Cl2 F4 N2 O2
Molecular Weight
381.11
InChI
InChI=1S/C14H6Cl2F4N2O2/c15-5-4-8(12(20)10(16)11(5)19)21-14(24)22-13(23)9-6(17)2-1-3-7(9)18/h1-4H,(H2,21,22,23,24)
Additionnal Information
IUPAC name: N-[(3,5-dichloro-2,4-difluorophenyl)carbamoyl]-2,6-difluorobenzamide
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Teflubenzuron

Teflubenzuron is a N-acylurea that is N-carbamoyl-2,6-difluorobenzamide substituted by a 3,5-dichloro-2,4-difluorophenyl group at the terminal nitrogen atom. It has a role as an insecticide, a xenobiotic and an environmental contaminant. It is a dichlorobenzene, a difluorobenzene and a N-acylurea. It is functionally related to a N-benzoylurea.

CAS Number83121-18-0
PubChem CID91734
IUPAC NameN-[(3,5-dichloro-2,4-difluorophenyl)carbamoyl]-2,6-difluorobenzamide
Molecular FormulaC14H6Cl2F4N2O2
Molecular Weight381.1
XLogP4.9
Topological Polar Surface Area58.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Heavy Atom Count24
Formal Charge0
Complexity478
SMILES
C1=CC(=C(C(=C1)F)C(=O)NC(=O)NC2=CC(=C(C(=C2F)Cl)F)Cl)F
InChI
InChI=1S/C14H6Cl2F4N2O2/c15-5-4-8(12(20)10(16)11(5)19)21-14(24)22-13(23)9-6(17)2-1-3-7(9)18/h1-4H,(H2,21,22,23,24)
InChIKey
CJDWRQLODFKPEL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Teflubenzuron
CAS: 83121-18-0
CID: 91734
Formula: C14H6Cl2F4N2O2
MW: 381.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight381.1
XLogP34.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Exact Mass379.9742455
Monoisotopic Mass379.9742455
Topological Polar Surface Area58.2 Ų
Heavy Atom Count24
Formal Charge0
Complexity478
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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