9H-fluorene-4-carbonyl chloride

• ChemBase ID: 57457
• Molecular Formular: C14H9ClO
• Molecular Mass: 228.67366
• Monoisotopic Mass: 228.03419259
• SMILES: c1ccc2c(c1)Cc1c2c(ccc1)C(=O)Cl
• Canonical SMILES: ClC(=O)c1cccc2c1c1ccccc1C2
• InChI: InChI=1S/C14H9ClO/c15-14(16)12-7-3-5-10-8-9-4-1-2-6-11(9)13(10)12/h1-7H,8H2
• InChIKey: HDQDDUVQIZXFNI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 9H-fluorene-4-carbonyl chloride
• IUPAC Traditional name: 9H-fluorene-4-carbonyl chloride
• Synonyms: 9H-Fluorene-4-carbonyl chloride

Database IDs

• MDL Number: MFCD11520754
• PubChem SID: 162062220
• PubChem CID: 299140

CALCULATED PROPERTIES

• Acid pKa: 16.559744
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.9299319
• LogD (pH = 7.4): 3.9299319
• Log P: 3.9299319
• Molar Refractivity: 65.9881 cm^3
• Polarizability: 26.07409 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false