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Novaluron

CAT: 0572-TRC-N888400-10GSize: 10 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-N888400-10GSize:10 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
116714-46-6
Hazard Statement
Very toxic to aquatic life; UN number: UN3077; Packing Group: III
Purity
>95% (HPLC)
Smiles
FC(OC(F)(F)F)C(F)(F)Oc1ccc(NC(=O)NC(=O)c2c(F)cccc2F)cc1Cl
Molecular Formula
C17 H9 Cl F8 N2 O4
Molecular Weight
492.7
InChI
InChI=1S/C17H9ClF8N2O4/c18-8-6-7(4-5-11(8)31-16(22,23)14(21)32-17(24,25)26)27-15(30)28-13(29)12-9(19)2-1-3-10(12)20/h1-6,14H,(H2,27,28,29,30)
Additionnal Information
IUPAC name: N-[[3-chloro-4-[1,1,2-trifluoro-2-(trifluoromethoxy)ethoxy]phenyl]carbamoyl]-2,6-difluorobenzamide
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Novaluron

Novaluron is an aromatic ether, an organofluorine compound, a benzoylurea insecticide and a member of monochlorobenzenes.

CAS Number116714-46-6
PubChem CID93541
IUPAC NameN-[[3-chloro-4-[1,1,2-trifluoro-2-(trifluoromethoxy)ethoxy]phenyl]carbamoyl]-2,6-difluorobenzamide
Molecular FormulaC17H9ClF8N2O4
Molecular Weight492.7
XLogP5.8
Topological Polar Surface Area76.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count12
Rotatable Bond Count6
Heavy Atom Count32
Formal Charge0
Complexity661
SMILES
C1=CC(=C(C(=C1)F)C(=O)NC(=O)NC2=CC(=C(C=C2)OC(C(OC(F)(F)F)F)(F)F)Cl)F
InChI
InChI=1S/C17H9ClF8N2O4/c18-8-6-7(4-5-11(8)31-16(22,23)14(21)32-17(24,25)26)27-15(30)28-13(29)12-9(19)2-1-3-10(12)20/h1-6,14H,(H2,27,28,29,30)
InChIKey
NJPPVKZQTLUDBO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Novaluron
CAS: 116714-46-6
CID: 93541
Formula: C17H9ClF8N2O4
MW: 492.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight492.7
XLogP35.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count12
Rotatable Bond Count6
Exact Mass492.0123098
Monoisotopic Mass492.0123098
Topological Polar Surface Area76.7 Ų
Heavy Atom Count32
Formal Charge0
Complexity661
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
RM-N221800-01Novaluron
A21106-50Novaluron 50mg
A21106-25Novaluron 25mg
A21106-500Novaluron 500mg
AR-N08971-01Novaluron-d3
HY-17519R-01Novaluron (Standard)
A21106-250Novaluron 250mg
A21106-100Novaluron 100mg
AR-N08970-01Novaluron-13C6
AR-N08972-01N-Nitroso Novaluron

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