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3-Pyridineaceticacid, 4,6-dichloro-

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  • Name 3-Pyridineaceticacid, 4,6-dichloro-
  • EINECSN/A
  • CAS No. 199283-51-7
  • Density1.537 g/cm3
  • PSA50.19000
  • LogP2.01550
  • SolubilityN/A
  • Melting PointN/A
  • FormulaC7H5Cl2NO2
  • Boiling Point355.3 °C at 760 mmHg
  • Molecular Weight206.0261
  • Flash Point168.7 °C
  • Transport InformationN/A
  • AppearanceN/A
  • Safety
  • Risk CodesN/A
  • Molecular Structure
    Molecular Structure of 199283-51-7 (4,6-DICHLOROPYRIDINE-3-ACETIC ACID)
  • Hazard SymbolsN/A
  • SynonymsN/A

3-Pyridineaceticacid, 4,6-dichloro- Specification

The CAS registry number of 3-Pyridineaceticacid, 4,6-dichloro- is 199283-51-7. This chemical's molecular formula is C7H5Cl2NO2 and molecular weight is 206.0261. What's more, its systematic name is called (4,6-Dichloropyridin-3-yl)acetic acid.

Physical properties about 3-Pyridineaceticacid, 4,6-dichloro- are: (1)ACD/LogP: 1.14; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.51; (4)ACD/LogD (pH 7.4): -2.19; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 2.22; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 39.19 Å2; (13)Index of Refraction: 1.59; (14)Molar Refractivity: 45.24 cm3; (15)Molar Volume: 134 cm3; (16)Polarizability: 17.93×10-24 cm3; (17)Surface Tension: 59.1 dyne/cm; (18)Density: 1.537 g/cm3; (19)Flash Point: 168.7 °C; (20)Enthalpy of Vaporization: 63.36 kJ/mol; (21)Boiling Point: 355.3 °C at 760 mmHg; (22)Vapour Pressure: 1.16E-05 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Clc1c(cnc(Cl)c1)CC(=O)O
(2) InChI: InChI=1/C7H5Cl2NO2/c8-5-2-6(9)10-3-4(5)1-7(11)12/h2-3H,1H2,(H,11,12)
(3) InChIKey: PQYUZCUCIIIHJW-UHFFFAOYAJ

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