ChemSpider 2D Image | (2S)-Amino(2-fluoro-4-sulfamoylphenyl)acetic acid | C8H9FN2O4S

(2S)-Amino(2-fluoro-4-sulfamoylphenyl)acetic acid

  • Molecular FormulaC8H9FN2O4S
  • Average mass248.232 Da
  • Monoisotopic mass248.026703 Da
  • ChemSpider ID27466194

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-Amino(2-fluor-4-sulfamoylphenyl)essigsäure [German] [ACD/IUPAC Name]
(2S)-Amino(2-fluoro-4-sulfamoylphenyl)acetic acid [ACD/IUPAC Name]
Acide (2S)-amino(2-fluoro-4-sulfamoylphényl)acétique [French] [ACD/IUPAC Name]
Benzeneacetic acid, α-amino-4-(aminosulfonyl)-2-fluoro-, (αS)- [ACD/Index Name]
(2S)-2-AMINO-2-(2-FLUORO-4-SULFAMOYLPHENYL)ACETIC ACID
(S)-2-amino-2-(2-fluoro-4-sulfamoylphenyl)acetic acid
(S)-AMINO(2-FLUORO-4-SULFAMOYLPHENYL)ACETIC ACID

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

Density: 1.6±0.1 g/cm3
Boiling Point: 472.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 77.5±3.0 kJ/mol
Flash Point: 239.8±31.5 °C
Index of Refraction: 1.614
Molar Refractivity: 53.8±0.4 cm3
#H bond acceptors: 6
#H bond donors: 5
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: -0.53
ACD/LogD (pH 5.5): -2.97
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.99
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 132 Å2
Polarizability: 21.3±0.5 10-24cm3
Surface Tension: 71.1±3.0 dyne/cm
Molar Volume: 154.5±3.0 cm3

Click to predict properties on the Chemicalize site


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