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Imazethapyr

CAT: 1596-AR-I01326-01Size: 10 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-I01326-01Size:10 Units
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CAS Number
81335-77-5
Synonyms
5-ethyl-2- (4-isopropyl-4-methyl-5-oxo-4,5-dihydro-1H-imidazol-2-yl) nicotinicacid; (±) -5-Ethyl-2- (4-isopropyl-4-methyl-5-oxo-4,5-dihydro-1H-imidazol-2-yl) nicotinic Acid; (±) -Imazethapyr; 5-Ethyl-2- (4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl) Nicotinic Acid; AC 263499; CL 263499; Fabian; Imazethapyr; Pivot; Pursuit; Pursuit 10; Imazethapyr
Molecular Formula
C15H19N3O3
Molecular Weight
289.34
API Name
Imazethapyr

Chemical Information

Imazethapyr

Imazethapyr is a member of pyridines and an aromatic carboxylic acid.

CAS Number81335-77-5
PubChem CID54740
IUPAC Name5-ethyl-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid
Molecular FormulaC15H19N3O3
Molecular Weight289.33
XLogP2
Topological Polar Surface Area91.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count21
Formal Charge0
Complexity475
SMILES
CCC1=CC(=C(N=C1)C2=NC(C(=O)N2)(C)C(C)C)C(=O)O
InChI
InChI=1S/C15H19N3O3/c1-5-9-6-10(13(19)20)11(16-7-9)12-17-14(21)15(4,18-12)8(2)3/h6-8H,5H2,1-4H3,(H,19,20)(H,17,18,21)
InChIKey
XVOKUMIPKHGGTN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Imazethapyr
CAS: 81335-77-5
CID: 54740
Formula: C15H19N3O3
MW: 289.33
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight289.33
XLogP32
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass289.14264148
Monoisotopic Mass289.14264148
Topological Polar Surface Area91.7 Ų
Heavy Atom Count21
Formal Charge0
Complexity475
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
RG-A260922-01Imazethapyr
CS-T-103451Imazethapyr-D7
HY-133188R-01Imazethapyr (Standard)
S-2244Imazethapyr - 1ML
JFA88787-01Imazethapyr-1-hydroxyethyl
425357-013-Descarboxy Imazethapyr
TRC-D290455-500MG4-Desisopropyl-4-propyl Imazethapyr
TRC-D290465-250MG4-Desmethyl-4-ethyl Imazethapyr
TRC-D290460-500MG4-Desisopropyl-4-methyl Imazethapyr
4320894-Desisopropyl-4-isobutyl Imazethapyr

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