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

• ChemBase ID: 65373
• Molecular Formular: C15H11ClO
• Molecular Mass: 242.70024
• Monoisotopic Mass: 242.04984265
• SMILES: c12c(C(c3c1cccc3)(C)C(=O)Cl)cccc2
• Canonical SMILES: ClC(=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
• InChIKey: ZQYOOHGEBHBNTP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 9-methyl-9H-fluorene-9-carbonyl chloride
• IUPAC Traditional name: 9-methylfluorene-9-carbonyl chloride
• Synonyms: 9-Methylfluorene-9-carbonyl chloride

Database IDs

• CAS Number: 82102-37-2
• MDL Number: MFCD18839248
• PubChem SID: 162031112
• PubChem CID: 13751568

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%