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8-Bromo-5,6-difluoro-2-methylquinoline

  • Name 8-Bromo-5,6-difluoro-2-methylquinoline
  • EINECS1533716-785-6
  • CAS No. 131190-82-4
  • Density1.637 g/cm3
  • PSA12.89000
  • LogP3.58390
  • SolubilityN/A
  • Melting PointN/A
  • FormulaC10H6BrF2N
  • Boiling Point299.831 °C at 760 mmHg
  • Molecular Weight258.0621464
  • Flash Point135.133 °C
  • Transport InformationN/A
  • AppearanceN/A
  • Safety
  • Risk CodesN/A
  • Molecular Structure
    Molecular Structure of 131190-82-4 (8-Bromo-5,6-difluoro-2-methylquinoline)
  • Hazard SymbolsN/A
  • SynonymsN/A
  • Article Data5

8-Bromo-5,6-difluoro-2-methylquinoline Specification

Systematic name of this chemical is 8-Bromo-5,6-difluoro-2-methylquinoline and its CAS registry number is 131190-82-4. Its molecular formula is C10H6BrF2N and molecular weight is 258.0621464.

Physical properties about the 8-Bromo-5,6-difluoro-2-methylquinoline are: (1)ACD/LogP: 3.42; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 224; (6)ACD/BCF (pH 7.4): 224; (7)ACD/KOC (pH 5.5): 1676; (8)ACD/KOC (pH 7.4): 1677; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 12.89 Å2; (13)Index of Refraction: 1.61; (14)Molar Refractivity: 54.689 cm3; (15)Molar Volume: 157.652 cm3; (16)Surface Tension: 44.701 dyne/cm; (17)Density: 1.637 g/cm3; (18)Flash Point: 135.133 °C; (19)Enthalpy of Vaporization: 51.826 kJ/mol; (20)Boiling Point: 299.831 °C at 760 mmHg; (21)Vapour Pressure: 0.002 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Brc1cc(F)c(F)c2ccc(nc12)C
(2) InChI: InChI=1/C10H6BrF2N/c1-5-2-3-6-9(13)8(12)4-7(11)10(6)14-5/h2-4H,1H3
(3) InChIKey: YPKUTBCKHJBNKX-UHFFFAOYAB

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