2-bromo-9,9-dimethyl-9H-fluorene

• ChemBase ID: 286720
• Molecular Formular: C15H13Br
• Molecular Mass: 273.16772
• Monoisotopic Mass: 272.02006242
• SMILES: CC1(C)c2c(c3c1cccc3)ccc(Br)c2
• Canonical SMILES: Brc1ccc2c(c1)C(C)(C)c1c2cccc1
• InChI: InChI=1S/C15H13Br/c1-15(2)13-6-4-3-5-11(13)12-8-7-10(16)9-14(12)15/h3-9H,1-2H3
• InChIKey: MBHPOBSZPYEADG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromo-9,9-dimethyl-9H-fluorene
• IUPAC Traditional name: 2-bromo-9,9-dimethylfluorene
• Synonyms: 2-Bromo-9,9-dimethylfluorene

Database IDs

• CAS Number: 28320-31-2
• MDL Number: MFCD09261272
• PubChem SID: 180672251
• PubChem CID: 10945606

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 5.094838
• LogD (pH = 7.4): 5.094838
• Log P: 5.094838
• Molar Refractivity: 82.0143 cm^3
• Polarizability: 28.625093 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Purity: 95+%; 97%