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

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

CAS: 2173554-83-9

Formula: C12H6BrClO

SMILES: ClC1=CC2=C(OC3=C2C(Br)=CC=C3)C=C1

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

InChI: InChI=1S/C12H6BrClO/c13-9-2-1-3-11-12(9)8-6-7(14)4-5-10(8)15-11/h1-6H

Composition: C (51.20%), H (2.15%), Br (28.38%), Cl (12.59%), O (5.68%)

Molar Mass: 281.53

Atom Count: 21

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 279.929056
Formal Charge 0
FSP3 0
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 0
Hydrogen Bond Donor Count 0
InChIKey LMGAQFSQAOXEDZ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 63.65
Topological Polar Surface Area 13.14
Polarizability 26.76
Ring Count 3
Rotatable Bond Count 0

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