7-chloro-9-oxo-9H-fluorene-1-carboxylic acid

• ChemBase ID: 310506
• Molecular Formular: C14H7ClO3
• Molecular Mass: 258.65658
• Monoisotopic Mass: 258.00837176
• SMILES: C1(=O)c2c(c3c1cc(cc3)Cl)cccc2C(=O)O
• Canonical SMILES: Clc1ccc2c(c1)C(=O)c1c2cccc1C(=O)O
• InChI: InChI=1S/C14H7ClO3/c15-7-4-5-8-9-2-1-3-10(14(17)18)12(9)13(16)11(8)6-7/h1-6H,(H,17,18)
• InChIKey: OQPCESKPMRSZCX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-chloro-9-oxo-9H-fluorene-1-carboxylic acid
• IUPAC Traditional name: 7-chloro-9-oxofluorene-1-carboxylic acid
• Synonyms: 7-chloro-9-oxo-9H-fluorene-1-carboxylic acid

Database IDs

• CAS Number: 1673-28-5
• MDL Number: MFCD00447350

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.2032378
• LogD (pH = 7.4): -0.053837515
• Log P: 3.368206
• Molar Refractivity: 67.7727 cm^3
• Polarizability: 26.792763 Å^3
• Polar Surface Area: 54.37 Å^2