ChemSpider 2D Image | (5-Bromo-2-oxohexahydro-4-pyrimidinyl)acetic acid | C6H9BrN2O3

(5-Bromo-2-oxohexahydro-4-pyrimidinyl)acetic acid

  • Molecular FormulaC6H9BrN2O3
  • Average mass237.051 Da
  • Monoisotopic mass235.979645 Da
  • ChemSpider ID62067073

More details:

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

(5-Brom-2-oxohexahydro-4-pyrimidinyl)essigsäure [German] [ACD/IUPAC Name]
(5-Bromo-2-oxohexahydro-4-pyrimidinyl)acetic acid [ACD/IUPAC Name]
4-Pyrimidineacetic acid, 5-bromohexahydro-2-oxo- [ACD/Index Name]
Acide (5-bromo-2-oxohexahydro-4-pyrimidinyl)acétique [French] [ACD/IUPAC Name]
1779883-50-9 [RN]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 563.6±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 92.6±6.0 kJ/mol
Flash Point: 294.7±25.9 °C
Index of Refraction: 1.533
Molar Refractivity: 44.0±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -0.60
ACD/LogD (pH 5.5): -1.75
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.54
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 78 Å2
Polarizability: 17.4±0.5 10-24cm3
Surface Tension: 48.4±3.0 dyne/cm
Molar Volume: 141.6±3.0 cm3

Click to predict properties on the Chemicalize site


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