2',7'-dibromo-3-ethenylspiro[cyclopropane-1,9'-fluorene]

• ChemBase ID: 75628
• Molecular Formular: C17H12Br2
• Molecular Mass: 376.08518
• Monoisotopic Mass: 373.93057438
• SMILES: Brc1cc2c(cc1)c1c(cc(cc1)Br)C12C(C1)C=C
• Canonical SMILES: C=CC1CC21c1cc(Br)ccc1c1c2cc(Br)cc1
• InChI: InChI=1S/C17H12Br2/c1-2-10-9-17(10)15-7-11(18)3-5-13(15)14-6-4-12(19)8-16(14)17/h2-8,10H,1,9H2
• InChIKey: LZJYNJKWXMMBDE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2',7'-dibromo-3-ethenylspiro[cyclopropane-1,9'-fluorene]
• IUPAC Traditional name: 2',7'-dibromo-3-ethenylspiro[cyclopropane-1,9'-fluorene]
• Synonyms: 2',7'-Dibromo-2-vinylspiro[cyclopropane-1,9'-fluorene]

Database IDs

• MDL Number: MFCD09801035
• PubChem SID: 162040546
• PubChem CID: 44118600

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 5.8274646
• LogD (pH = 7.4): 5.8274646
• Log P: 5.8274646
• Molar Refractivity: 97.0286 cm^3
• Polarizability: 34.09033 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• Storage Warning: Irritant