ChemSpider 2D Image | (3S,4S)-1-[(2-Chloro-5-fluorobenzyl)sulfonyl]-4-cyclopropyl-3-pyrrolidinecarboxylic acid | C15H17ClFNO4S

(3S,4S)-1-[(2-Chloro-5-fluorobenzyl)sulfonyl]-4-cyclopropyl-3-pyrrolidinecarboxylic acid

  • Molecular FormulaC15H17ClFNO4S
  • Average mass361.816 Da
  • Monoisotopic mass361.055084 Da
  • ChemSpider ID71040960

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3S,4S)-1-[(2-Chlor-5-fluorbenzyl)sulfonyl]-4-cyclopropyl-3-pyrrolidincarbonsäure [German] [ACD/IUPAC Name]
(3S,4S)-1-[(2-Chloro-5-fluorobenzyl)sulfonyl]-4-cyclopropyl-3-pyrrolidinecarboxylic acid [ACD/IUPAC Name]
3-Pyrrolidinecarboxylic acid, 1-[[(2-chloro-5-fluorophenyl)methyl]sulfonyl]-4-cyclopropyl-, (3S,4S)- [ACD/Index Name]
Acide (3S,4S)-1-[(2-chloro-5-fluorobenzyl)sulfonyl]-4-cyclopropyl-3-pyrrolidinecarboxylique [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 535.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 85.5±3.0 kJ/mol
Flash Point: 277.7±32.9 °C
Index of Refraction: 1.620
Molar Refractivity: 83.6±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.66
ACD/LogD (pH 5.5): 1.37
ACD/BCF (pH 5.5): 3.12
ACD/KOC (pH 5.5): 33.32
ACD/LogD (pH 7.4): -0.41
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 83 Å2
Polarizability: 33.1±0.5 10-24cm3
Surface Tension: 63.5±5.0 dyne/cm
Molar Volume: 238.0±5.0 cm3

Click to predict properties on the Chemicalize site


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