ChemSpider 2D Image | 2-[(Carboxycarbonyl)(1H-pyrazol-1-ylmethyl)amino]-3-methylbenzoic acid | C14H13N3O5

2-[(Carboxycarbonyl)(1H-pyrazol-1-ylmethyl)amino]-3-methylbenzoic acid

  • Molecular FormulaC14H13N3O5
  • Average mass303.270 Da
  • Monoisotopic mass303.085510 Da
  • ChemSpider ID71047188

More details:

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

2-[(Carboxycarbonyl)(1H-pyrazol-1-ylmethyl)amino]-3-methylbenzoesäure [German] [ACD/IUPAC Name]
2-[(Carboxycarbonyl)(1H-pyrazol-1-ylmethyl)amino]-3-methylbenzoic acid [ACD/IUPAC Name]
Acide 2-[(carboxycarbonyl)(1H-pyrazol-1-ylméthyl)amino]-3-méthylbenzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 2-[(carboxycarbonyl)(1H-pyrazol-1-ylmethyl)amino]-3-methyl- [ACD/Index Name]
1367578-41-3 [RN]
3-methyl-2-[oxalo(pyrazol-1-ylmethyl)amino]benzoic acid
BH479-12
Metazachlor metabolite BH 479-12

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

Density: 1.4±0.1 g/cm3
Boiling Point: 546.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 86.9±3.0 kJ/mol
Flash Point: 284.6±32.9 °C
Index of Refraction: 1.643
Molar Refractivity: 77.0±0.5 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.51
ACD/LogD (pH 5.5): -3.64
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.74
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 113 Å2
Polarizability: 30.5±0.5 10-24cm3
Surface Tension: 60.7±7.0 dyne/cm
Molar Volume: 212.8±7.0 cm3

Click to predict properties on the Chemicalize site


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