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Imazaquin-methyl

CAT: 0931-T32145Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T32145Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
81335-43-5
Target
Others
Related Pathways
Others
Bioactivity
Imazaquin-methyl is a imidazolinone herbicide that controls a wide variety of weeds.
Smiles
O=C(OC)C=1C=C2C=CC=CC2=NC1C3=NC(=O)C(N3)(C)C(C)C
Molecular Formula
C18H19N3O3
Molecular Weight
325.36
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Imazaquin-methyl
CAS Number81335-43-5
PubChem CID611694
IUPAC Namemethyl 2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)quinoline-3-carboxylate
Molecular FormulaC18H19N3O3
Molecular Weight325.4
XLogP2.9
Topological Polar Surface Area80.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count24
Formal Charge0
Complexity560
SMILES
CC(C)C1(C(=O)NC(=N1)C2=NC3=CC=CC=C3C=C2C(=O)OC)C
InChI
InChI=1S/C18H19N3O3/c1-10(2)18(3)17(23)20-15(21-18)14-12(16(22)24-4)9-11-7-5-6-8-13(11)19-14/h5-10H,1-4H3,(H,20,21,23)
InChIKey
PMJRLYSMEOLBIU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Imazaquin-methyl
CAS: 81335-43-5
CID: 611694
Formula: C18H19N3O3
MW: 325.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight325.4
XLogP32.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass325.14264148
Monoisotopic Mass325.14264148
Topological Polar Surface Area80.7 Ų
Heavy Atom Count24
Formal Charge0
Complexity560
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

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CatalogName
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