2',7'-dibromospiro[cyclopentane-1,9'-fluoren]-3-ene

• ChemBase ID: 75629
• Molecular Formular: C17H12Br2
• Molecular Mass: 376.08518
• Monoisotopic Mass: 373.93057438
• SMILES: Brc1cc2c(cc1)c1c(cc(cc1)Br)C12CC=CC1
• Canonical SMILES: Brc1ccc2c(c1)C1(CC=CC1)c1c2ccc(c1)Br
• InChI: InChI=1S/C17H12Br2/c18-11-3-5-13-14-6-4-12(19)10-16(14)17(15(13)9-11)7-1-2-8-17/h1-6,9-10H,7-8H2
• InChIKey: QPQANYVXSVAJFZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2',7'-dibromospiro[cyclopentane-1,9'-fluoren]-3-ene
• IUPAC Traditional name: 2',7'-dibromospiro[cyclopentane-1,9'-fluoren]-3-ene
• Synonyms: 2',7'-Dibromospiro[cyclopent[3]ene-1,9'-fluorene]

Database IDs

• MDL Number: MFCD09800925
• PubChem SID: 162040547
• PubChem CID: 44118601

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 5.9270806
• LogD (pH = 7.4): 5.9270806
• Log P: 5.9270806
• Molar Refractivity: 98.1535 cm^3
• Polarizability: 34.09033 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• Storage Warning: Irritant