Found 2 results

Search term: YFVRICTZIFANOE-VHSXEESVSA-N (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (1S,2R)-2-[(3-Chloro-4-fluorophenyl)carbamoyl]cyclohexanecarboxylic acid | C14H15ClFNO3

(1S,2R)-2-[(3-Chloro-4-fluorophenyl)carbamoyl]cyclohexanecarboxylic acid

  • Molecular FormulaC14H15ClFNO3
  • Average mass299.725 Da
  • Monoisotopic mass299.072449 Da
  • ChemSpider ID56575917

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1S,2R)-2-[(3-Chlor-4-fluorphenyl)carbamoyl]cyclohexancarbonsäure [German] [ACD/IUPAC Name]
(1S,2R)-2-[(3-Chloro-4-fluorophenyl)carbamoyl]cyclohexanecarboxylic acid [ACD/IUPAC Name]
Acide (1S,2R)-2-[(3-chloro-4-fluorophényl)carbamoyl]cyclohexanecarboxylique [French] [ACD/IUPAC Name]
Cyclohexanecarboxylic acid, 2-[[(3-chloro-4-fluorophenyl)amino]carbonyl]-, (1S,2R)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 521.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 83.7±3.0 kJ/mol
Flash Point: 269.1±30.1 °C
Index of Refraction: 1.594
Molar Refractivity: 72.4±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.22
ACD/LogD (pH 5.5): 2.35
ACD/BCF (pH 5.5): 20.40
ACD/KOC (pH 5.5): 152.53
ACD/LogD (pH 7.4): 0.55
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.40
Polar Surface Area: 66 Å2
Polarizability: 28.7±0.5 10-24cm3
Surface Tension: 58.6±3.0 dyne/cm
Molar Volume: 213.5±3.0 cm3

Click to predict properties on the Chemicalize site


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