Found 1 result

Search term: RRESDMSNRHUMGC-UHFFFAOYSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | {1-[4-(Chloromethyl)benzoyl]-5-methoxy-2-methyl-1H-indol-3-yl}acetic acid | C20H18ClNO4

{1-[4-(Chloromethyl)benzoyl]-5-methoxy-2-methyl-1H-indol-3-yl}acetic acid

  • Molecular FormulaC20H18ClNO4
  • Average mass371.814 Da
  • Monoisotopic mass371.092438 Da
  • ChemSpider ID29409824

More details:

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

{1-[4-(Chlormethyl)benzoyl]-5-methoxy-2-methyl-1H-indol-3-yl}essigsäure [German] [ACD/IUPAC Name]
{1-[4-(Chloromethyl)benzoyl]-5-methoxy-2-methyl-1H-indol-3-yl}acetic acid [ACD/IUPAC Name]
1H-Indole-3-acetic acid, 1-[4-(chloromethyl)benzoyl]-5-methoxy-2-methyl- [ACD/Index Name]
Acide {1-[4-(chlorométhyl)benzoyl]-5-méthoxy-2-méthyl-1H-indol-3-yl}acétique [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 525.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.1±3.0 kJ/mol
Flash Point: 271.5±30.1 °C
Index of Refraction: 1.611
Molar Refractivity: 99.2±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.61
ACD/LogD (pH 5.5): 2.13
ACD/BCF (pH 5.5): 10.50
ACD/KOC (pH 5.5): 68.47
ACD/LogD (pH 7.4): 0.41
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.30
Polar Surface Area: 69 Å2
Polarizability: 39.3±0.5 10-24cm3
Surface Tension: 46.6±7.0 dyne/cm
Molar Volume: 285.6±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement