9-methyl-9H-fluorene-9-carbonyl chloride

• ChemBase ID: 65374
• Molecular Formular: C15H11ClO
• Molecular Mass: 243.69289484
• Monoisotopic Mass: 243.05319749
• SMILES: c12c(C(c3c1cccc3)(C)[13C](=O)Cl)cccc2
• Canonical SMILES: Cl[13C](=O)C1(C)c2ccccc2c2c1cccc2
• InChI: InChI=1S/C15H11ClO/c1-15(14(16)17)12-8-4-2-6-10(12)11-7-3-5-9-13(11)15/h2-9H,1H3/i14+1
• InChIKey: ZQYOOHGEBHBNTP-UJKGMGNHSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 9-methyl-9H-fluorene-9-carbonyl chloride
• IUPAC Traditional name: 9-methylfluorene-9-carbonyl chloride
• Synonyms: [13C]-9-Methylfluorene-9-carbonyl chloride

Database IDs

• CAS Number: 1072315-89-9
• MDL Number: MFCD18839249
• PubChem SID: 162031113
• PubChem CID: 60200440

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.051108
• LogD (pH = 7.4): 4.051108
• Log P: 4.051108
• Molar Refractivity: 69.3523 cm^3
• Polarizability: 28.018496 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

Product Information

• Purity: 97%