2-chloro-1-(9H-fluoren-3-yl)ethan-1-one

• ChemBase ID: 229352
• Molecular Formular: C15H11ClO
• Molecular Mass: 242.70024
• Monoisotopic Mass: 242.04984265
• SMILES: c12c3c(Cc1ccc(c2)C(=O)CCl)cccc3
• Canonical SMILES: ClCC(=O)c1ccc2c(c1)c1ccccc1C2
• InChI: InChI=1S/C15H11ClO/c16-9-15(17)12-6-5-11-7-10-3-1-2-4-13(10)14(11)8-12/h1-6,8H,7,9H2
• InChIKey: ZJTUQNSEOSSROS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-1-(9H-fluoren-3-yl)ethan-1-one
• IUPAC Traditional name: 2-chloro-1-(9H-fluoren-3-yl)ethanone
• Synonyms: 2-Chloro-1-(9H-fluoren-3-yl)-ethanone

Database IDs

• MDL Number: MFCD06362442
• PubChem SID: 164285262
• PubChem CID: 2546099

CALCULATED PROPERTIES

• Acid pKa: 15.376671
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.8340106
• LogD (pH = 7.4): 3.8340106
• Log P: 3.8340106
• Molar Refractivity: 70.0294 cm^3
• Polarizability: 27.88217 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 133 - 135°C
• Hydrophobicity(logP): 3.627

Product Information

• Purity: 95%