ChemSpider 2D Image | 6-Chloro-4-formylnicotinic acid | C7H4ClNO3

6-Chloro-4-formylnicotinic acid

  • Molecular FormulaC7H4ClNO3
  • Average mass185.565 Da
  • Monoisotopic mass184.987976 Da
  • ChemSpider ID29339828

More details:

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

1031433-06-3 [RN]
3-Pyridinecarboxylic acid, 6-chloro-4-formyl- [ACD/Index Name]
6-Chlor-4-formylnicotinsäure [German] [ACD/IUPAC Name]
6-Chloro-4-formylnicotinic acid [ACD/IUPAC Name]
Acide 6-chloro-4-formylnicotinique [French] [ACD/IUPAC Name]
6-chloro-4-formyl-nicotinic acid
6-chloro-4-formylpyridine-3-carboxylic acid
MFCD18258739 [MDL number]

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

CCRIS 4693 [DBID]

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

    Density: 1.6±0.1 g/cm3
    Boiling Point: 389.3±42.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 67.4±3.0 kJ/mol
    Flash Point: 189.3±27.9 °C
    Index of Refraction: 1.642
    Molar Refractivity: 42.9±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 1
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 0.15
    ACD/LogD (pH 5.5): -0.80
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.23
    ACD/LogD (pH 7.4): -1.99
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 67 Å2
    Polarizability: 17.0±0.5 10-24cm3
    Surface Tension: 70.7±3.0 dyne/cm
    Molar Volume: 118.8±3.0 cm3

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