9H-fluorene-4-carbonitrile

• ChemBase ID: 101044
• Molecular Formular: C14H9N
• Molecular Mass: 191.22796
• Monoisotopic Mass: 191.07349929
• SMILES: c12c(Cc3c1cccc3)cccc2C#N
• Canonical SMILES: N#Cc1cccc2c1c1ccccc1C2
• InChI: InChI=1S/C14H9N/c15-9-12-6-3-5-11-8-10-4-1-2-7-13(10)14(11)12/h1-7H,8H2
• InChIKey: BBMULSUBOPFDIT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 9H-fluorene-4-carbonitrile
• IUPAC Traditional name: 9H-fluorene-4-carbonitrile
• Synonyms: 9H-fluorene-4-carbonitrile

Database IDs

• CAS Number: 141606-44-2
• MDL Number: MFCD00143305
• PubChem SID: 162088827
• PubChem CID: 2724872

CALCULATED PROPERTIES

• Acid pKa: 16.926123
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.5951157
• LogD (pH = 7.4): 3.5951157
• Log P: 3.5951157
• Molar Refractivity: 60.595 cm^3
• Polarizability: 24.279503 Å^3
• Polar Surface Area: 23.79 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 97%