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Search term: N[C@H](C(O)=O)c1cc(O)cc(O)c1Cl (Found by conversion of search term to chemical structure (full match))
ChemSpider 2D Image | (2S)-Amino(2-chloro-3,5-dihydroxyphenyl)acetic acid | C8H8ClNO4

(2S)-Amino(2-chloro-3,5-dihydroxyphenyl)acetic acid

  • Molecular FormulaC8H8ClNO4
  • Average mass217.606 Da
  • Monoisotopic mass217.014191 Da
  • ChemSpider ID59053794

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-Amino(2-chlor-3,5-dihydroxyphenyl)essigsäure [German] [ACD/IUPAC Name]
(2S)-Amino(2-chloro-3,5-dihydroxyphenyl)acetic acid [ACD/IUPAC Name]
Acide (2S)-amino(2-chloro-3,5-dihydroxyphényl)acétique [French] [ACD/IUPAC Name]
Benzeneacetic acid, α-amino-2-chloro-3,5-dihydroxy-, (αS)- [ACD/Index Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 448.7±33.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 74.5±3.0 kJ/mol
Flash Point: 225.1±25.4 °C
Index of Refraction: 1.687
Molar Refractivity: 49.6±0.3 cm3
#H bond acceptors: 5
#H bond donors: 5
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 0.39
ACD/LogD (pH 5.5): -1.97
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.08
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 104 Å2
Polarizability: 19.6±0.5 10-24cm3
Surface Tension: 88.7±3.0 dyne/cm
Molar Volume: 130.1±3.0 cm3

Click to predict properties on the Chemicalize site


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