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Search term: LKMQJBUAKFFRHD (Found by InChIKey (skeleton match))

ChemSpider 2D Image | 4-Chloro-6-Fmoc-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine | C22H18ClN3O2


  • Molecular FormulaC22H18ClN3O2
  • Average mass391.850 Da
  • Monoisotopic mass391.108765 Da
  • ChemSpider ID21109257

More details:

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

(9H-fluoren-9-yl)methyl 4-chloro-7,8-dihydropyrido[4,3-d]pyrimidine-6(5H)-carboxylate
4-Chloro-7,8-dihydropyrido[4,3-d]pyrimidine-6(5H)-carboxylate de 9H-fluorén-9-ylméthyle [French] [ACD/IUPAC Name]
916420-25-2 [RN]
9H-Fluoren-9-ylmethyl 4-chloro-7,8-dihydropyrido[4,3-d]pyrimidine-6(5H)-carboxylate [ACD/IUPAC Name]
9H-Fluoren-9-ylmethyl-4-chlor-7,8-dihydropyrido[4,3-d]pyrimidin-6(5H)-carboxylat [German] [ACD/IUPAC Name]
Pyrido[4,3-d]pyrimidine-6(5H)-carboxylic acid, 4-chloro-7,8-dihydro-, 9H-fluoren-9-ylmethyl ester [ACD/Index Name]
(9h-fluoren-9-yl)methyl 4-chloro-7,8-dihydropyrido(4,3-d)pyrimidine-6(5h)-carboxylate

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

  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Appearance:

      Not Available Novochemy [NC-41239]
    • Safety:

      20/21/22 Novochemy [NC-41239]
      20/21/36/37/39 Novochemy [NC-41239]
      GHS07; GHS09 Novochemy [NC-41239]
      H332; H403 Novochemy [NC-41239]
      P332+P313; P305+P351+P338 Novochemy [NC-41239]
      R22 Novochemy [NC-41239]
      Warning Novochemy [NC-41239]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 596.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.8±3.0 kJ/mol
Flash Point: 314.4±30.1 °C
Index of Refraction: 1.657
Molar Refractivity: 105.8±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.64
ACD/LogD (pH 5.5): 4.33
ACD/BCF (pH 5.5): 1146.66
ACD/KOC (pH 5.5): 5389.43
ACD/LogD (pH 7.4): 4.33
ACD/BCF (pH 7.4): 1146.67
ACD/KOC (pH 7.4): 5389.46
Polar Surface Area: 55 Å2
Polarizability: 42.0±0.5 10-24cm3
Surface Tension: 61.4±3.0 dyne/cm
Molar Volume: 287.7±3.0 cm3

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