ChemSpider 2D Image | (1S,2R)-2-(4-Bromophenyl)-1'-methylspiro[cyclopropane-1,3'-indol]-2'(1'H)-one | C17H14BrNO

(1S,2R)-2-(4-Bromophenyl)-1'-methylspiro[cyclopropane-1,3'-indol]-2'(1'H)-one

  • Molecular FormulaC17H14BrNO
  • Average mass328.203 Da
  • Monoisotopic mass327.025879 Da
  • ChemSpider ID30652089

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1S,2R)-2-(4-Bromophenyl)-1'-methylspiro[cyclopropane-1,3'-indol]-2'(1'H)-one [ACD/IUPAC Name]
(1S,2R)-2-(4-Bromophényl)-1'-méthylspiro[cyclopropane-1,3'-indol]-2'(1'H)-one [French] [ACD/IUPAC Name]
(1S,2R)-2-(4-Bromphenyl)-1'-methylspiro[cyclopropane-1,3'-indol]-2'(1'H)-on [German] [ACD/IUPAC Name]
Spiro[cyclopropane-1,3'-[3H]indol]-2'(1'H)-one, 2-(4-bromophenyl)-1'-methyl-, (1S,2R)- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 495.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 76.3±3.0 kJ/mol
Flash Point: 253.2±28.7 °C
Index of Refraction: 1.705
Molar Refractivity: 82.2±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 4.11
ACD/LogD (pH 5.5): 3.91
ACD/BCF (pH 5.5): 551.27
ACD/KOC (pH 5.5): 3190.59
ACD/LogD (pH 7.4): 3.91
ACD/BCF (pH 7.4): 551.27
ACD/KOC (pH 7.4): 3190.60
Polar Surface Area: 20 Å2
Polarizability: 32.6±0.5 10-24cm3
Surface Tension: 61.9±5.0 dyne/cm
Molar Volume: 211.7±5.0 cm3

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