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2,7-dibromo-9,9-dioctylfluorene

2,7-dibromo-9,9-dioctylfluorene

CAS: 198964-46-4

Formula: C29H40Br2

SMILES: CCCCCCCCC1(CCCCCCCC)C2=C(C=CC(Br)=C2)C2=C1C=C(Br)C=C2

IUPAC: 2,7-dibromo-9,9-dioctyl-9H-fluorene

InChI: InChI=1S/C29H40Br2/c1-3-5-7-9-11-13-19-29(20-14-12-10-8-6-4-2)27-21-23(30)15-17-25(27)26-18-16-24(31)22-28(26)29/h15-18,21-22H,3-14,19-20H2,1-2H3

Composition: C (63.51%), H (7.35%), Br (29.14%)

Molar Mass: 548.447

Atom Count: 71

Heavy Atom Count: 31

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 546.149677
Formal Charge 0
FSP3 0.59
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 0
Hydrogen Bond Donor Count 0
InChIKey CYKLQIOPIMZZBZ-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 154.05
Topological Polar Surface Area 0
Polarizability 57.06
Ring Count 3
Rotatable Bond Count 14

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