N-(9-oxo-9H-fluoren-4-yl)acetamide

• ChemBase ID: 295817
• Molecular Formular: C15H11NO2
• Molecular Mass: 237.25334
• Monoisotopic Mass: 237.0789786
• SMILES: CC(=O)Nc1cccc2c1c1ccccc1C2=O
• Canonical SMILES: CC(=O)Nc1cccc2c1c1ccccc1C2=O
• InChI: InChI=1S/C15H11NO2/c1-9(17)16-13-8-4-7-12-14(13)10-5-2-3-6-11(10)15(12)18/h2-8H,1H3,(H,16,17)
• InChIKey: BDYZWJVQPFNPBV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(9-oxo-9H-fluoren-4-yl)acetamide
• IUPAC Traditional name: N-(9-oxofluoren-4-yl)acetamide
• Synonyms: 4-Acetylamino-9-fluorenone; 4-Acetamido-9-fluorenone; 4-乙酰胺基--3-芴酮

Database IDs

• CAS Number: 42135-35-3
• MDL Number: MFCD00010782
• PubChem SID: 180681348
• PubChem CID: 235270

CALCULATED PROPERTIES

• Acid pKa: 13.404898
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.3442888
• LogD (pH = 7.4): 2.3442883
• Log P: 2.3442888
• Molar Refractivity: 70.5747 cm^3
• Polarizability: 27.514946 Å^3
• Polar Surface Area: 46.17 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 262-264°C

Safety Information

• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 99%