2,7-dibromospiro[fluorene-9,4'-oxane]

• ChemBase ID: 75613
• Molecular Formular: C17H14Br2O
• Molecular Mass: 394.10046
• Monoisotopic Mass: 391.94113907
• SMILES: O1CCC2(c3cc(ccc3c3c2cc(cc3)Br)Br)CC1
• Canonical SMILES: Brc1ccc2c(c1)C1(CCOCC1)c1c2ccc(c1)Br
• InChI: InChI=1S/C17H14Br2O/c18-11-1-3-13-14-4-2-12(19)10-16(14)17(15(13)9-11)5-7-20-8-6-17/h1-4,9-10H,5-8H2
• InChIKey: VJAHYEYQWMPHQQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,7-dibromospiro[fluorene-9,4'-oxane]
• IUPAC Traditional name: 2,7-dibromospiro[fluorene-9,4'-oxane]
• Synonyms: 2,7-Dibromo-2',3',5',6'-tetrahydrospiro[fluorene-9,4'-pyran]

Database IDs

• CAS Number: 934269-17-7
• MDL Number: MFCD09800926
• PubChem SID: 162040531
• PubChem CID: 16071655

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 5.0410748
• LogD (pH = 7.4): 5.0410748
• Log P: 5.0410748
• Molar Refractivity: 99.1864 cm^3
• Polarizability: 35.0839 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• Storage Warning: Irritant