Product Name

  • Name

    7-nitro-9-oxo-9H-fluorene-2-carboxylic acid

  • EINECS
  • CAS No. 42946-25-8
  • Density 1.591 g/cm3
  • Solubility
  • Melting Point
  • Formula C14H7NO5
  • Boiling Point 561.6 °C at 760 mmHg
  • Molecular Weight 269.213
  • Flash Point 241.7 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 42946-25-8 (7-nitro-9-oxo-9H-fluorene-2-carboxylic acid)
  • Hazard Symbols
  • Synonyms Fluorene-2-carboxylicacid, 7-nitro-9-oxo- (7CI);7-Nitrofluorenone-2-carboxylic acid;NSC 113326;7-Nitro-9-oxo-9H-fluorene-2-carboxylic acid;
  • PSA
  • LogP

9H-Fluorene-2-carboxylicacid, 7-nitro-9-oxo- Specification

The 9H-Fluorene-2-carboxylicacid, 7-nitro-9-oxo-, with the CAS registry number 42946-25-8, is also known as 7-Nitrofluorenone-2-carboxylic acid. This chemical's molecular formula is C14H7NO5 and molecular weight is 269.21. What's more, its systematic name is 7-Nitro-9-oxo-9H-fluorene-2-carboxylic acid.

Physical properties of 9H-Fluorene-2-carboxylicacid, 7-nitro-9-oxo- are: (1)ACD/LogP: 3.09; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.07; (4)ACD/LogD (pH 7.4): 0; (5)ACD/BCF (pH 5.5): 1.26; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 10.96; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 6; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 89.19 Å2; (13)Index of Refraction: 1.728; (14)Molar Refractivity: 67.4 cm3; (15)Molar Volume: 169.2 cm3; (16)Polarizability: 26.72×10-24 cm3; (17)Surface Tension: 80.6 dyne/cm; (18)Density: 1.591 g/cm3; (19)Flash Point: 241.7 °C; (20)Enthalpy of Vaporization: 88.85 kJ/mol; (21)Boiling Point: 561.6 °C at 760 mmHg; (22)Vapour Pressure: 1.89E-13 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c3ccc2c1ccc(cc1C(=O)c2c3)C(=O)O
(2)InChI: InChI=1S/C14H7NO5/c16-13-11-5-7(14(17)18)1-3-9(11)10-4-2-8(15(19)20)6-12(10)13/h1-6H,(H,17,18)
(3)InChIKey: JUYGFOYDSZVZNE-UHFFFAOYSA-N

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