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

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

CAS: 916435-41-1

Formula: C12H6BrIO

SMILES: BrC1=CC2=C(OC3=C2C=C(I)C=C3)C=C1

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

InChI: InChI=1S/C12H6BrIO/c13-7-1-3-11-9(5-7)10-6-8(14)2-4-12(10)15-11/h1-6H

Composition: C (38.64%), H (1.62%), Br (21.42%), I (34.02%), O (4.29%)

Molar Mass: 372.987

Atom Count: 21

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 371.86467
Formal Charge 0
FSP3 0
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 0
Hydrogen Bond Donor Count 0
InChIKey YMEVNDQRPHHDRH-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 72.21
Topological Polar Surface Area 13.14
Polarizability 30.02
Ring Count 3
Rotatable Bond Count 0

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