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Pyribenzoxim

CAT: 0013-GTR19193001-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19193001-02Size:50 mg
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Description
Pyribenzoxim is a pyrimidinyl-oxy-benzoate class herbicide used in agricultural research. It serves as a chemical tool for studying weed control mechanisms and herbicide resistance, applicable in both in vitro enzyme assays and in vivo plant growth experiments.
CAS Number
168088-61-7
Smiles
COc1cc (OC) nc (Oc2cccc (Oc3nc (OC) cc (OC) n3) c2C (=O) ON=C (c2ccccc2) c2ccccc2) n1
Molecular Formula
C32H27N5O8
Molecular Weight
609.59
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Pyribenzoxim

structure in first source

CAS Number168088-61-7
PubChem CID178117
IUPAC Name(benzhydrylideneamino) 2,6-bis[(4,6-dimethoxypyrimidin-2-yl)oxy]benzoate
Molecular FormulaC32H27N5O8
Molecular Weight609.6
XLogP6.8
Topological Polar Surface Area146
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count13
Rotatable Bond Count13
Heavy Atom Count45
Formal Charge0
Complexity849
SMILES
COC1=CC(=NC(=N1)OC2=C(C(=CC=C2)OC3=NC(=CC(=N3)OC)OC)C(=O)ON=C(C4=CC=CC=C4)C5=CC=CC=C5)OC
InChI
InChI=1S/C32H27N5O8/c1-39-24-18-25(40-2)34-31(33-24)43-22-16-11-17-23(44-32-35-26(41-3)19-27(36-32)42-4)28(22)30(38)45-37-29(20-12-7-5-8-13-20)21-14-9-6-10-15-21/h5-19H,1-4H3
InChIKey
OVXMBIVWNJDDSM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Pyribenzoxim
CAS: 168088-61-7
CID: 178117
Formula: C32H27N5O8
MW: 609.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight609.6
XLogP36.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count13
Rotatable Bond Count13
Exact Mass609.18596284
Monoisotopic Mass609.18596284
Topological Polar Surface Area146 Ų
Heavy Atom Count45
Formal Charge0
Complexity849
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
T34201-01Pyribenzoxim

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