Found 1052 results

Search term: MF = 'C_{9}H_{11}FN_{2}O_{3}'
ChemSpider 2D Image | 3-[(1S)-1,2-Diaminoethyl]-4-fluoro-2-hydroxybenzoic acid | C9H11FN2O3

3-[(1S)-1,2-Diaminoethyl]-4-fluoro-2-hydroxybenzoic acid

  • Molecular FormulaC9H11FN2O3
  • Average mass214.194 Da
  • Monoisotopic mass214.075363 Da
  • ChemSpider ID27448077

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

3-[(1S)-1,2-Diaminoethyl]-4-fluor-2-hydroxybenzoesäure [German] [ACD/IUPAC Name]
3-[(1S)-1,2-Diaminoethyl]-4-fluoro-2-hydroxybenzoic acid [ACD/IUPAC Name]
Acide 3-[(1S)-1,2-diaminoéthyl]-4-fluoro-2-hydroxybenzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 3-[(1S)-1,2-diaminoethyl]-4-fluoro-2-hydroxy- [ACD/Index Name]
3-((1S)-1,2-DIAMINOETHYL)-4-FLUORO-2-HYDROXYBENZOIC ACID

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

Density: 1.5±0.1 g/cm3
Boiling Point: 424.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.6±3.0 kJ/mol
Flash Point: 210.6±28.7 °C
Index of Refraction: 1.629
Molar Refractivity: 51.7±0.3 cm3
#H bond acceptors: 5
#H bond donors: 6
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 0.14
ACD/LogD (pH 5.5): -2.55
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.12
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 110 Å2
Polarizability: 20.5±0.5 10-24cm3
Surface Tension: 72.7±3.0 dyne/cm
Molar Volume: 145.5±3.0 cm3

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