9-ethyl-9H-fluorene

• ChemBase ID: 139088
• Molecular Formular: C15H14
• Molecular Mass: 194.27166
• Monoisotopic Mass: 194.10955045
• SMILES: CCC1c2ccccc2c2c1cccc2
• Canonical SMILES: CCC1c2ccccc2c2c1cccc2
• InChI: InChI=1S/C15H14/c1-2-11-12-7-3-5-9-14(12)15-10-6-4-8-13(11)15/h3-11H,2H2,1H3
• InChIKey: QBBCCEYJCKGWIK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 9-ethyl-9H-fluorene
• IUPAC Traditional name: 9-ethyl-9H-fluorene
• Synonyms: 9-Ethylfluorene; 9-乙基芴

Database IDs

• CAS Number: 2294-82-8
• EC Number: 218-938-6
• MDL Number: MFCD00001140
• PubChem SID: 162233338
• PubChem CID: 16801

CALCULATED PROPERTIES

• Acid pKa: 18.383886
• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.4706073
• LogD (pH = 7.4): 4.4706073
• Log P: 4.4706073
• Molar Refractivity: 64.023 cm^3
• Polarizability: 26.214626 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: >113 °C; >235.4 °F

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves

Product Information

• Purity: 97%
• Empirical Formula (Hill Notation): C15H14