2'-bromospiro[cyclohexane-1,9'-fluorene]

• ChemBase ID: 798241
• Molecular Formular: C18H17Br
• Molecular Mass: 313.23158
• Monoisotopic Mass: 312.05136254
• SMILES: C12(CCCCC1)c1cc(ccc1c1ccccc21)Br
• Canonical SMILES: Brc1ccc2c(c1)C1(CCCCC1)c1c2cccc1
• InChI: InChI=1S/C18H17Br/c19-13-8-9-15-14-6-2-3-7-16(14)18(17(15)12-13)10-4-1-5-11-18/h2-3,6-9,12H,1,4-5,10-11H2
• InChIKey: JLBXMPBCAYRQSZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2'-bromospiro[cyclohexane-1,9'-fluorene]
• IUPAC Traditional name: 2'-bromospiro[cyclohexane-1,9'-fluorene]
• Synonyms: 2'-broMospiro[cyclohexane-1,9'-fluorene]

Database IDs

• CAS Number: 797056-48-5

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 5.9648185
• LogD (pH = 7.4): 5.9648185
• Log P: 5.9648185
• Molar Refractivity: 94.0151 cm^3
• Polarizability: 33.421844 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Purity: 97%