Found 327 results

Search term: MF = 'C_{8}H_{11}N_{3}O_{5}'
ChemSpider 2D Image | (3-Isopropoxy-4-nitro-1H-pyrazol-1-yl)acetic acid | C8H11N3O5

(3-Isopropoxy-4-nitro-1H-pyrazol-1-yl)acetic acid

  • Molecular FormulaC8H11N3O5
  • Average mass229.190 Da
  • Monoisotopic mass229.069870 Da
  • ChemSpider ID53607903

More details:

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

(3-Isopropoxy-4-nitro-1H-pyrazol-1-yl)acetic acid [ACD/IUPAC Name]
(3-Isopropoxy-4-nitro-1H-pyrazol-1-yl)essigsäure [German] [ACD/IUPAC Name]
1856093-78-1 [RN]
1H-Pyrazole-1-acetic acid, 3-(1-methylethoxy)-4-nitro- [ACD/Index Name]
Acide (3-isopropoxy-4-nitro-1H-pyrazol-1-yl)acétique [French] [ACD/IUPAC Name]
(3-ISOPROPOXY-4-NITROPYRAZOL-1-YL)ACETIC ACID
2-[4-NITRO-3-(PROPAN-2-YLOXY)-1H-PYRAZOL-1-YL]ACETIC ACID
MFCD29911742

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

Density: 1.5±0.1 g/cm3
Boiling Point: 444.9±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 74.1±3.0 kJ/mol
Flash Point: 222.9±25.9 °C
Index of Refraction: 1.598
Molar Refractivity: 52.3±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.04
ACD/LogD (pH 5.5): -1.53
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.82
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 110 Å2
Polarizability: 20.7±0.5 10-24cm3
Surface Tension: 58.4±7.0 dyne/cm
Molar Volume: 153.1±7.0 cm3

Click to predict properties on the Chemicalize site


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