4,12-diiodo-8-oxatricyclo[7.4.0.0²,?]trideca-1(9),2(7),3,5,10,12-hexaene

4,12-diiodo-8-oxatricyclo[7.4.0.0²,?]trideca-1(9),2(7),3,5,10,12-hexaene

CAS: 5943-11-3

Formula: C12H6I2O

SMILES: IC1=CC2=C(OC3=C2C=C(I)C=C3)C=C1

IUPAC: 4,12-diiodo-8-oxatricyclo[7.4.0.0²,?]trideca-1(9),2(7),3,5,10,12-hexaene

InChI: InChI=1S/C12H6I2O/c13-7-1-3-11-9(5-7)10-6-8(14)2-4-12(10)15-11/h1-6H

Composition: C (34.32%), H (1.44%), I (60.43%), O (3.81%)

Molar Mass: 419.988

Atom Count: 21

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	419.8508
Formal Charge	0
FSP3	0
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	0
Hydrogen Bond Donor Count	0
InChIKey	VKTLGHDNPWVFSY-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	77.95
Topological Polar Surface Area	13.14
Polarizability	32.37
Ring Count	3
Rotatable Bond Count	0

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