ChemSpider 2D Image | Metazachlor ESA | C14H17N3O4S

Metazachlor ESA

  • Molecular FormulaC14H17N3O4S
  • Average mass323.367 Da
  • Monoisotopic mass323.093964 Da
  • ChemSpider ID28290254

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

172960-62-2 [RN]
2-[(2,6-Dimethylphenyl)(1H-pyrazol-1-ylmethyl)amino]-2-oxoethanesulfonic acid [ACD/IUPAC Name]
2-[(2,6-Dimethylphenyl)(1H-pyrazol-1-ylmethyl)amino]-2-oxoethansulfonsäure [German] [ACD/IUPAC Name]
Acide 2-[(2,6-diméthylphényl)(1H-pyrazol-1-ylméthyl)amino]-2-oxoéthanesulfonique [French] [ACD/IUPAC Name]
Ethanesulfonic acid, 2-[(2,6-dimethylphenyl)(1H-pyrazol-1-ylmethyl)amino]-2-oxo- [ACD/Index Name]
Metazachlor ESA
Metazachlor-ESA
2-[2,6-dimethyl-N-(pyrazol-1-ylmethyl)anilino]-2-oxoethanesulfonic acid
2-[2,6-dimethyl-N-(pyrazol-1-ylmethyl)anilino]-2-oxo-ethanesulfonic acid
Metazachlor ethane sulfonic acid
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  • Miscellaneous

    • Chemical Class:

      An organosulfonic acid that is 2-oxoethanesulfonic acid substituted by a (2,6-dimethylphenyl)(1<element>H</element>-pyrazol-1-ylmethyl)amino group at position 2. It is metabolite of the herbicide meta zachlor. ChEBI CHEBI:83482
      An organosulfonic acid that is 2-oxoethanesulfonic acid substituted by a (2,6-dimethylphenyl)(1H-pyrazol-1-ylmethyl)amino group at position 2. It is metabolite of the herbicide metazachlor. ChEBI CHEBI:83482

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.616
Molar Refractivity: 84.0±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: -0.03
ACD/LogD (pH 5.5): -3.97
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.98
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 101 Å2
Polarizability: 33.3±0.5 10-24cm3
Surface Tension: 53.7±7.0 dyne/cm
Molar Volume: 240.4±7.0 cm3

Click to predict properties on the Chemicalize site


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