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14,15,30,31-tetrabromo-2,5,8,11,18,21,24,27-octaoxatricyclo[26.4.0.0¹²,¹?]dotriaconta-1(28),12,14,16,29,31-hexaene

14,15,30,31-tetrabromo-2,5,8,11,18,21,24,27-octaoxatricyclo[26.4.0.0¹²,¹?]dotriaconta-1(28),12,14,16,29,31-hexaene

CAS: 302929-56-2

Formula: C24H28Br4O8

SMILES: BrC1=CC2=C(OCCOCCOCCOC3=CC(Br)=C(Br)C=C3OCCOCCOCCO2)C=C1Br

IUPAC: 14,15,30,31-tetrabromo-2,5,8,11,18,21,24,27-octaoxatricyclo[26.4.0.0¹²,¹?]dotriaconta-1(28),12,14,16,29,31-hexaene

InChI: InChI=1S/C24H28Br4O8/c25-17-13-21-22(14-18(17)26)35-11-7-31-3-4-32-8-12-36-24-16-20(28)19(27)15-23(24)34-10-6-30-2-1-29-5-9-33-21/h13-16H,1-12H2

Composition: C (37.73%), H (3.69%), Br (41.83%), O (16.75%)

Molar Mass: 764.096

Atom Count: 64

Heavy Atom Count: 36

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 759.85177
Formal Charge 0
FSP3 0.5
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 8
Hydrogen Bond Donor Count 0
InChIKey LHHOBWJONQINII-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 148.7
Topological Polar Surface Area 73.84
Polarizability 58.69
Ring Count 3
Rotatable Bond Count 0

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