ChemSpider 2D Image | L-888607 | C19H15ClFNO2S

L-888607

  • Molecular FormulaC19H15ClFNO2S
  • Average mass375.844 Da
  • Monoisotopic mass375.049591 Da
  • ChemSpider ID23262008

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

{(1S)-9-[(4-Chlorophenyl)sulfanyl]-6-fluoro-2,3-dihydro-1H-pyrrolo[1,2-a]indol-1-yl}acetic acid [ACD/IUPAC Name]
{(1S)-9-[(4-Chlorphenyl)sulfanyl]-6-fluor-2,3-dihydro-1H-pyrrolo[1,2-a]indol-1-yl}essigsäure [German] [ACD/IUPAC Name]
1H-Pyrrolo[1,2-a]indole-1-acetic acid, 9-[(4-chlorophenyl)thio]-6-fluoro-2,3-dihydro-, (1S)- [ACD/Index Name]
860033-06-3 [RN]
Acide {(1S)-9-[(4-chlorophényl)sulfanyl]-6-fluoro-2,3-dihydro-1H-pyrrolo[1,2-a]indol-1-yl}acétique [French] [ACD/IUPAC Name]
L-888607
LMX71OP17X
[(S)-9-(4-Chloro-phenylsulfanyl)-6-fluoro-2,3-dihydro-1H-pyrrolo[1,2-a]indol-1-yl]-acetic acid
1H-Pyrrolo(1,2-a)indole-1-acetic acid, 9-((4-chlorophenyl)thio)-6-fluoro-2,3-dihydro-, (1S)-
2-[(1S)-9-[(4-chlorophenyl)sulfanyl]-6-fluoro-1H,2H,3H-benzo[b]pyrrolizin-1-yl]acetic acid
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.5±0.1 g/cm3
Boiling Point: 583.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 91.8±3.0 kJ/mol
Flash Point: 306.9±30.1 °C
Index of Refraction: 1.689
Molar Refractivity: 97.9±0.5 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 5.37
ACD/LogD (pH 5.5): 4.19
ACD/BCF (pH 5.5): 512.93
ACD/KOC (pH 5.5): 1562.52
ACD/LogD (pH 7.4): 2.38
ACD/BCF (pH 7.4): 8.07
ACD/KOC (pH 7.4): 24.57
Polar Surface Area: 68 Å2
Polarizability: 38.8±0.5 10-24cm3
Surface Tension: 53.3±7.0 dyne/cm
Molar Volume: 256.4±7.0 cm3

Click to predict properties on the Chemicalize site


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