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1H-Indazole,3-iodo-5-methyl-

  • Name 1H-Indazole,3-iodo-5-methyl-
  • EINECSN/A
  • CAS No. 885518-92-3
  • Density1.933g/cm3
  • PSA28.68000
  • LogP2.47590
  • SolubilityN/A
  • Melting PointN/A
  • FormulaC8H7IN2
  • Boiling Point368.6 °C at 760 mmHg
  • Molecular Weight258.061
  • Flash Point176.7 °C
  • Transport InformationN/A
  • AppearanceN/A
  • Safety
  • Risk CodesN/A
  • Molecular Structure
    Molecular Structure of 885518-92-3 (3-IODO-5-METHYL (1H)INDAZOLE)
  • Hazard SymbolsN/A
  • SynonymsN/A
  • Article Data5

1H-Indazole,3-iodo-5-methyl- Specification

The 1H-Indazole,3-iodo-5-methyl-, with CAS registry number 885518-92-3, belongs to the following product categories: (1)Building Blocks; (2)Indazole. It has the systematic name of 3-iodo-5-methyl-1H-indazole. And the chemical formula of this chemical is C8H7IN2.

Physical properties of 1H-Indazole,3-iodo-5-methyl-: (1)ACD/LogP: 3.61; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.61; (4)ACD/LogD (pH 7.4): 3.61; (5)ACD/BCF (pH 5.5): 327.31; (6)ACD/BCF (pH 7.4): 327.31; (7)ACD/KOC (pH 5.5): 2196.91; (8)ACD/KOC (pH 7.4): 2196.89; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 28.68 Å2; (13)Index of Refraction: 1.749; (14)Molar Refractivity: 54.35 cm3; (15)Molar Volume: 133.4 cm3; (16)Polarizability: 21.54×10-24cm3; (17)Surface Tension: 64.4 dyne/cm; (18)Density: 1.933 g/cm3; (19)Flash Point: 176.7 °C; (20)Enthalpy of Vaporization: 59.11 kJ/mol; (21)Boiling Point: 368.6 °C at 760 mmHg; (22)Vapour Pressure: 2.66E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Cc1cc2c(cc1)nnc2I
(2)InChI: InChI=1/C8H7IN2/c1-5-2-3-7-6(4-5)8(9)11-10-7/h2-4H,1H3,(H,10,11)
(3)InChIKey: IZIWHSYVQDJETA-UHFFFAOYAN
(4)Std. InChI: InChI=1S/C8H7IN2/c1-5-2-3-7-6(4-5)8(9)11-10-7/h2-4H,1H3,(H,10,11)
(5)Std. InChIKey: IZIWHSYVQDJETA-UHFFFAOYSA-N

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