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4,5,11,12,17,18-hexabromopentacyclo[6.6.6.0²,?.0?,¹?.0¹?,²?]icosa-2(7),3,5,9(14),10,12,15(20),16,18-nonaene

4,5,11,12,17,18-hexabromopentacyclo[6.6.6.0²,?.0?,¹?.0¹?,²?]icosa-2(7),3,5,9(14),10,12,15(20),16,18-nonaene

CAS: 55805-81-7

Formula: C20H8Br6

SMILES: BrC1=CC2=C(C=C1Br)C1C3=C(C=C(Br)C(Br)=C3)C2C2=C1C=C(Br)C(Br)=C2

IUPAC: 4,5,11,12,17,18-hexabromopentacyclo[6.6.6.0²,?.0?,¹?.0¹?,²?]icosa-2(7),3,5,9(14),10,12,15(20),16,18-nonaene

InChI: InChI=1S/C20H8Br6/c21-13-1-7-8(2-14(13)22)20-11-5-17(25)15(23)3-9(11)19(7)10-4-16(24)18(26)6-12(10)20/h1-6,19-20H

Composition: C (33.01%), H (1.11%), Br (65.88%)

Molar Mass: 727.708

Atom Count: 34

Heavy Atom Count: 26

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 721.572628
Formal Charge 0
FSP3 0.1
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 0
Hydrogen Bond Donor Count 0
InChIKey FXRWLRSFZAHEEL-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 128.44
Topological Polar Surface Area 0
Polarizability 49.25
Ring Count 5
Rotatable Bond Count 0

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