ChemSpider 2D Image | (S)-Pirprofen | C13H14ClNO2

(S)-Pirprofen

  • Molecular FormulaC13H14ClNO2
  • Average mass251.709 Da
  • Monoisotopic mass251.071304 Da
  • ChemSpider ID34994162

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-2-[3-Chlor-4-(2,5-dihydro-1H-pyrrol-1-yl)phenyl]propansäure [German] [ACD/IUPAC Name]
(2S)-2-[3-Chloro-4-(2,5-dihydro-1H-pyrrol-1-yl)phenyl]propanoic acid [ACD/IUPAC Name]
(S)-Pirprofen
Acide (2S)-2-[3-chloro-4-(2,5-dihydro-1H-pyrrol-1-yl)phényl]propanoïque [French] [ACD/IUPAC Name]
Benzeneacetic acid, 3-chloro-4-(2,5-dihydro-1H-pyrrol-1-yl)-α-methyl-, (αS)- [ACD/Index Name]
250-805-8 [EINECS]
31793-07-4 [RN]
Pirprofen [BAN] [INN] [USAN] [Wiki]
UNII-T7KN291890

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

Density: 1.3±0.1 g/cm3
Boiling Point: 410.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 69.9±3.0 kJ/mol
Flash Point: 202.2±28.7 °C
Index of Refraction: 1.604
Molar Refractivity: 66.7±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.71
ACD/LogD (pH 5.5): 1.73
ACD/BCF (pH 5.5): 7.11
ACD/KOC (pH 5.5): 74.50
ACD/LogD (pH 7.4): -0.04
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.25
Polar Surface Area: 41 Å2
Polarizability: 26.4±0.5 10-24cm3
Surface Tension: 53.3±3.0 dyne/cm
Molar Volume: 193.9±3.0 cm3

Click to predict properties on the Chemicalize site


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