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Dofenapyn

CAT: 0931-T211725-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T211725-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
42873-80-3
Target
Others
Related Pathways
Others
Bioactivity
Dofenapyn (CGA-29170) is an acaricide used for controlling pests in agricultural fields.
Smiles
C#CCCCOC1=CC=C(OC=2C=CC=CC2)C=C1
Molecular Formula
C17H16O2
Molecular Weight
252.31
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Dofenapyn
CAS Number42873-80-3
PubChem CID135148
IUPAC Name1-pent-4-ynoxy-4-phenoxybenzene
Molecular FormulaC17H16O2
Molecular Weight252.31
XLogP4.4
Topological Polar Surface Area18.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count6
Heavy Atom Count19
Formal Charge0
Complexity277
SMILES
C#CCCCOC1=CC=C(C=C1)OC2=CC=CC=C2
InChI
InChI=1S/C17H16O2/c1-2-3-7-14-18-15-10-12-17(13-11-15)19-16-8-5-4-6-9-16/h1,4-6,8-13H,3,7,14H2
InChIKey
PNXGNYJXJBKFRG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Dofenapyn
CAS: 42873-80-3
CID: 135148
Formula: C17H16O2
MW: 252.31
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight252.31
XLogP34.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count6
Exact Mass252.115029749
Monoisotopic Mass252.115029749
Topological Polar Surface Area18.5 Ų
Heavy Atom Count19
Formal Charge0
Complexity277
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

Alternative Products

CatalogName
HY-W751253Dofenapyn

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