2,7-dibromo-9,9-dimethyl-9H-fluorene

• ChemBase ID: 90260
• Molecular Formular: C15H12Br2
• Molecular Mass: 352.06378
• Monoisotopic Mass: 349.93057438
• SMILES: Brc1cc2c(cc1)c1c(cc(cc1)Br)C2(C)C
• Canonical SMILES: Brc1ccc2c(c1)C(C)(C)c1c2ccc(c1)Br
• InChI: InChI=1S/C15H12Br2/c1-15(2)13-7-9(16)3-5-11(13)12-6-4-10(17)8-14(12)15/h3-8H,1-2H3
• InChIKey: LONBOJIXBFUBKQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,7-dibromo-9,9-dimethyl-9H-fluorene
• IUPAC Traditional name: 2,7-dibromo-9,9-dimethylfluorene
• Synonyms: 2,7-Dibromo-9,9-dimethylfluorene; 2,7-Dibromo-9,9-dimethyl-9H-fluorene

Database IDs

• CAS Number: 28320-32-3
• MDL Number: MFCD00099471
• PubChem SID: 162077094
• PubChem CID: 12123876

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 5.8635907
• LogD (pH = 7.4): 5.8635907
• Log P: 5.8635907
• Molar Refractivity: 89.6371 cm^3
• Polarizability: 31.399101 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 178-179°C

Safety Information

• Storage Warning: Irritant/Light Sensitive/Keep Cold

Product Information

• Purity: 93%; 97%