ChemSpider 2D Image | Amino(2-chloro-3,5-dihydroxyphenyl)acetic acid | C8H8ClNO4

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

  • Molecular FormulaC8H8ClNO4
  • Average mass217.606 Da
  • Monoisotopic mass217.014191 Da
  • ChemSpider ID23177871

More details:

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

Acide amino(2-chloro-3,5-dihydroxyphényl)acétique [French] [ACD/IUPAC Name]
Amino(2-chlor-3,5-dihydroxyphenyl)essigsäure [German] [ACD/IUPAC Name]
Amino(2-chloro-3,5-dihydroxyphenyl)acetic acid [ACD/IUPAC Name]
Benzeneacetic acid, α-amino-2-chloro-3,5-dihydroxy- [ACD/Index Name]
Amino-(2-chloro-3,5-dihydroxy-phenyl)-acetic acid(S-CHPG)
CHEMBL316451
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL316451/

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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