9-chloro-9H-fluorene

• ChemBase ID: 45249
• Molecular Formular: C13H9Cl
• Molecular Mass: 200.66356
• Monoisotopic Mass: 200.03927797
• SMILES: C1(Cl)c2c(c3c1cccc3)cccc2
• Canonical SMILES: ClC1c2ccccc2c2c1cccc2
• InChI: InChI=1S/C13H9Cl/c14-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)13/h1-8,13H
• InChIKey: CVCQMAKDIKSUHX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 9-chloro-9H-fluorene
• IUPAC Traditional name: 9-chloro-9H-fluorene
• Synonyms: 9-chloro-9H-fluorene; 9-Chlorofluorene; 9-Chlorofluorene; 9-氯芴

Database IDs

• CAS Number: 6630-65-5
• MDL Number: MFCD00043468
• PubChem SID: 162050012
• PubChem CID: 23115

CALCULATED PROPERTIES

• Acid pKa: 17.356056
• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.0187078
• LogD (pH = 7.4): 4.0187078
• Log P: 4.0187078
• Molar Refractivity: 59.2859 cm^3
• Polarizability: 24.273592 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 86-88°C
• Hydrophobicity(logP): 4.258

Safety Information

• Storage Warning: IRRITANT
• RTECS: LL6930000
• TSCA Listed: false; 否

Product Information

• Purity: 95%; 97%; 98%