Found 3077 results

Search term: MF = 'C_{15}H_{17}ClO_{3}'
ChemSpider 2D Image | (1R,3S)-3-[2-(3-Chlorophenyl)-2-oxoethyl]cyclohexanecarboxylic acid | C15H17ClO3

(1R,3S)-3-[2-(3-Chlorophenyl)-2-oxoethyl]cyclohexanecarboxylic acid

  • Molecular FormulaC15H17ClO3
  • Average mass280.747 Da
  • Monoisotopic mass280.086609 Da
  • ChemSpider ID21397087

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1R,3S)-3-[2-(3-Chlorophenyl)-2-oxoethyl]cyclohexanecarboxylic acid [ACD/IUPAC Name]
(1R,3S)-3-[2-(3-Chlorphenyl)-2-oxoethyl]cyclohexancarbonsäure [German] [ACD/IUPAC Name]
Acide (1R,3S)-3-[2-(3-chlorophényl)-2-oxoéthyl]cyclohexanecarboxylique [French] [ACD/IUPAC Name]
Cyclohexanecarboxylic acid, 3-[2-(3-chlorophenyl)-2-oxoethyl]-, (1R,3S)- [ACD/Index Name]
(1R,3S)-3-[2-(3-chlorophenyl)-2-oxoethyl]cyclohexane-1-carboxylic acid
735275-16-8 [RN]
95%
cis-3-[2-(3-chlorophenyl)-2-oxoethyl]cyclohexane-1-carboxylic acid
cis-3-[2-(3-Chlorophenyl)-2-oxoethyl]-cyclohexane-1-carboxylic acid
MFCD01319806 [MDL number]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 457.8±20.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.7±3.0 kJ/mol
Flash Point: 230.7±21.8 °C
Index of Refraction: 1.554
Molar Refractivity: 73.0±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.64
ACD/LogD (pH 5.5): 3.06
ACD/BCF (pH 5.5): 75.87
ACD/KOC (pH 5.5): 431.54
ACD/LogD (pH 7.4): 1.25
ACD/BCF (pH 7.4): 1.20
ACD/KOC (pH 7.4): 6.81
Polar Surface Area: 54 Å2
Polarizability: 28.9±0.5 10-24cm3
Surface Tension: 46.7±3.0 dyne/cm
Molar Volume: 227.6±3.0 cm3

Click to predict properties on the Chemicalize site


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