Product Name

  • Name

    8-Chloro-1-cyclopropyl-6,7-difluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid

  • EINECS 1312995-182-4
  • CAS No. 101987-89-7
  • Article Data4
  • CAS DataBase
  • Density 1.716 g/cm3
  • Solubility
  • Melting Point 194-195 °C
  • Formula C13H8ClF2NO3
  • Boiling Point 466.648 °C at 760 mmHg
  • Molecular Weight 299.661
  • Flash Point 236.021 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 101987-89-7 (8-Chloro-1-cyclopropyl-6,7-difluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid)
  • Hazard Symbols
  • Synonyms 1-Cyclopropyl-6,7-difluoro-8-chloro-1,4-dihydro-4-oxoquinoline-3-carboxylic acid;1-Cyclopropyl-6,7-difluoro-8-chloro-4-oxo-1,4-dihydroquinolin-3-carboxylic acid;
  • PSA 59.30000
  • LogP 2.96620

8-Chloro-1-cyclopropyl-6,7-difluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid Specification

The 8-Chloro-1-cyclopropyl-6,7-difluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid, with the CAS registry number 101987-89-7, is also known as 3-Quinolinecarboxylic acid,8-chloro-1-cyclopropyl-6,7-difluoro-1,4-dihydro-4-oxo-. This chemical's molecular formula is C13H8ClF2NO3 and molecular weight is 299.66. What's more, its systematic name is 8-Chloro-1-cyclopropyl-6,7-difluoro-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid.

Physical properties of 8-Chloro-1-cyclopropyl-6,7-difluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid are: (1)ACD/LogP: 1.172; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.11; (4)ACD/LogD (pH 7.4): 0.07; (5)ACD/BCF (pH 5.5): 3.99; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 90.13; (8)ACD/KOC (pH 7.4): 8.15; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 57.61 Å2; (13)Index of Refraction: 1.662; (14)Molar Refractivity: 64.593 cm3; (15)Molar Volume: 174.618 cm3; (16)Polarizability: 25.607×10-24cm3; (17)Surface Tension: 73.2 dyne/cm; (18)Density: 1.716 g/cm3; (19)Flash Point: 236.021 °C; (20)Enthalpy of Vaporization: 76.751 kJ/mol; (21)Boiling Point: 466.648 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Fc3c(F)c(Cl)c1c(C(=O)\C(=C/N1C2CC2)C(=O)O)c3
(2)Std. InChI: InChI=1S/C13H8ClF2NO3/c14-9-10(16)8(15)3-6-11(9)17(5-1-2-5)4-7(12(6)18)13(19)20/h3-5H,1-2H2,(H,19,20)
(3)Std. InChIKey: ZHFGWIOLVRSZNQ-UHFFFAOYSA-N

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