122548-33-8
Product Name:
Imazosulfuron
Formula:
C14H13ClN6O5S
Synonyms:
1-(2-Chloroimidazo[1,2-a]pyridin-3-ylsulfonyl)-3-(4,6-dimethoxypyrimidin-2-yl)urea
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CHEMICAL AND PHYSICAL PROPERTIES
| Color/Form | White, crystalline powder |
|---|---|
| Melting Point | 178.6-180.7 °C |
| Solubility | In water (mg/L at 25 °C), 5 (pH 5.1), 67 (pH 6.1), 308 (pH 7) |
| Density | 1.652 at 20 °C |
| Vapor Pressure | Vapor pressure: < 2.63X10-8 mm Hg at 25 °C |
| LogP | log Kow = 2.43 (pH 4), -0.07 (pH 7), -1.56 (pH 9) |
| Stability/Shelf Life | Stable under recommended storage conditions. |
| pH | pH = 4.61 at 25 °C (1% suspension in water) |
| Dissociation Constants | pKa = 3.94 in methanol/0.01 M citrate buffer at 252 nm |
| Other Experimental Properties | log Kow = 1.88 (pH 4), 1.59 (pH 7), <0.29 (pH 9). pKa: 2.2, 3.82, 9.25. Vapor pressure: <4.73X10-6 mm Hg at 25 °C |
COMPUTED DESCRIPTORS
| Molecular Weight | 412.8 g/mol |
|---|---|
| XLogP3 | 3 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 5 |
| Exact Mass | 412.0356664 g/mol |
| Monoisotopic Mass | 412.0356664 g/mol |
| Topological Polar Surface Area | 145 Ų |
| Heavy Atom Count | 27 |
| Formal Charge | 0 |
| Complexity | 622 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Imazosulfuron is an imidazopyridine.