2,9-dibromo-6,13-dioxatetracyclo[6.6.2.0?,¹?.0¹¹,¹?]hexadeca-1,3,8(16),9,11(15)-pentaene-5,7,12,14-tetrone

2,9-dibromo-6,13-dioxatetracyclo[6.6.2.0?,¹?.0¹¹,¹?]hexadeca-1,3,8(16),9,11(15)-pentaene-5,7,12,14-tetrone

CAS: 83204-68-6

Formula: C14H2Br2O6

SMILES: BrC1=CC2=C3C(=C(Br)C=C4C(=O)OC(=O)C1=C34)C(=O)OC2=O

IUPAC: 2,9-dibromo-6,13-dioxatetracyclo[6.6.2.0?,¹?.0¹¹,¹?]hexadeca-1,3,8(16),9,11(15)-pentaene-5,7,12,14-tetrone

InChI: InChI=1S/C14H2Br2O6/c15-5-1-3-7-8-4(12(18)22-13(19)9(5)8)2-6(16)10(7)14(20)21-11(3)17/h1-2H

Composition: C (39.48%), H (0.47%), Br (37.52%), O (22.54%)

Molar Mass: 425.972

Atom Count: 24

Heavy Atom Count: 22

Properties

Properties

Common Names	N/A
Aromatic Ring Count	4
Asymmetric Atom Count	0
Exact Mass	423.821814
Formal Charge	0
FSP3	0
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	FEDCHNPLDKDTNS-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	80.37
Topological Polar Surface Area	86.74
Polarizability	31.41
Ring Count	4
Rotatable Bond Count	0

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