Found 1566 results

Search term: MF = 'C_{15}H_{17}FO_{4}'
ChemSpider 2D Image | (1R,2S)-2-(3-Fluoro-4-methoxybenzoyl)cyclohexanecarboxylic acid | C15H17FO4

(1R,2S)-2-(3-Fluoro-4-methoxybenzoyl)cyclohexanecarboxylic acid

  • Molecular FormulaC15H17FO4
  • Average mass280.292 Da
  • Monoisotopic mass280.111084 Da
  • ChemSpider ID21389346

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1R,2S)-2-(3-Fluor-4-methoxybenzoyl)cyclohexancarbonsäure [German] [ACD/IUPAC Name]
(1R,2S)-2-(3-Fluoro-4-methoxybenzoyl)cyclohexanecarboxylic acid [ACD/IUPAC Name]
Acide (1R,2S)-2-(3-fluoro-4-méthoxybenzoyl)cyclohexanecarboxylique [French] [ACD/IUPAC Name]
Cyclohexanecarboxylic acid, 2-(3-fluoro-4-methoxybenzoyl)-, (1R,2S)- [ACD/Index Name]
844856-77-5 [RN]
95%
carboxylic acid
cis-2-(3-Fluoro-4-methoxybenzoyl)cyclohexane-1-
cis-2-(3-Fluoro-4-methoxybenzoyl)cyclohexane-1-carboxylic acid
cis-2-(3-Fluoro-4-methoxybenzoyl)cyclohexanecarboxylic acid
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 466.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 76.8±3.0 kJ/mol
Flash Point: 236.1±28.7 °C
Index of Refraction: 1.538
Molar Refractivity: 70.1±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.67
ACD/LogD (pH 5.5): 1.18
ACD/BCF (pH 5.5): 2.35
ACD/KOC (pH 5.5): 28.67
ACD/LogD (pH 7.4): -0.61
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 64 Å2
Polarizability: 27.8±0.5 10-24cm3
Surface Tension: 46.2±3.0 dyne/cm
Molar Volume: 223.9±3.0 cm3

Click to predict properties on the Chemicalize site


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