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

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

CAS: 1438391-33-3

Formula: C16H15BrO

SMILES: CC(C)(C)C1=CC=CC2=C1OC1=C2C=CC=C1Br

IUPAC: 6-bromo-10-tert-butyl-8-oxatricyclo[7.4.0.0²,?]trideca-1(9),2(7),3,5,10,12-hexaene

InChI: InChI=1S/C16H15BrO/c1-16(2,3)12-8-4-6-10-11-7-5-9-13(17)15(11)18-14(10)12/h4-9H,1-3H3

Composition: C (63.38%), H (4.99%), Br (26.35%), O (5.28%)

Molar Mass: 303.199

Atom Count: 33

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	302.030628
Formal Charge	0
FSP3	0.25
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	0
Hydrogen Bond Donor Count	0
InChIKey	RGBGTPGFTMYLTA-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	77.52
Topological Polar Surface Area	13.14
Polarizability	32.16
Ring Count	3
Rotatable Bond Count	1

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