Found 213 results

Search term: MF = 'C_{13}H_{12}N_{4}O_{6}'
ChemSpider 2D Image | 3-[(3-Methoxy-5-nitrophenyl)carbamoyl]-1-methyl-1H-pyrazole-4-carboxylic acid | C13H12N4O6

3-[(3-Methoxy-5-nitrophenyl)carbamoyl]-1-methyl-1H-pyrazole-4-carboxylic acid

  • Molecular FormulaC13H12N4O6
  • Average mass320.258 Da
  • Monoisotopic mass320.075684 Da
  • ChemSpider ID21759897

More details:

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

1H-Pyrazole-4-carboxylic acid, 3-[[(3-methoxy-5-nitrophenyl)amino]carbonyl]-1-methyl- [ACD/Index Name]
3-[(3-Methoxy-5-nitrophenyl)carbamoyl]-1-methyl-1H-pyrazol-4-carbonsäure [German] [ACD/IUPAC Name]
3-[(3-Methoxy-5-nitrophenyl)carbamoyl]-1-methyl-1H-pyrazole-4-carboxylic acid [ACD/IUPAC Name]
Acide 3-[(3-méthoxy-5-nitrophényl)carbamoyl]-1-méthyl-1H-pyrazole-4-carboxylique [French] [ACD/IUPAC Name]
3-(3-Methoxy-5-nitro-phenylcarbamoyl)-1-methyl-1H-pyrazole-4-carboxylic acid
3-[(3-METHOXY-5-NITROPHENYL)CARBAMOYL]-1-METHYLPYRAZOLE-4-CARBOXYLIC ACID
3-[N-(5-methoxy-3-nitrophenyl)carbamoyl]-1-methylpyrazole-4-carboxylic acid
3-{[(3-methoxy-5-nitrophenyl)amino]carbonyl}-1-methyl-1H-pyrazole-4-carboxylic acid

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

Density: 1.5±0.1 g/cm3
Boiling Point: 486.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 79.2±3.0 kJ/mol
Flash Point: 248.0±28.7 °C
Index of Refraction: 1.662
Molar Refractivity: 76.7±0.5 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 0.77
ACD/LogD (pH 5.5): -0.96
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.86
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 139 Å2
Polarizability: 30.4±0.5 10-24cm3
Surface Tension: 64.6±7.0 dyne/cm
Molar Volume: 207.1±7.0 cm3

Click to predict properties on the Chemicalize site


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