1-bromo-4-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)benzene

1-bromo-4-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)benzene

CAS: 149068-56-4

Formula: C12H4BrF13

SMILES: FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1=CC=C(Br)C=C1

IUPAC: 1-bromo-4-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)benzene

InChI: InChI=1S/C12H4BrF13/c13-6-3-1-5(2-4-6)7(14,15)8(16,17)9(18,19)10(20,21)11(22,23)12(24,25)26/h1-4H

Composition: C (30.34%), H (0.85%), Br (16.82%), F (51.99%)

Molar Mass: 475.047

Atom Count: 30

Heavy Atom Count: 26

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	473.928879
Formal Charge	0
FSP3	0.5
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	0
Hydrogen Bond Donor Count	0
InChIKey	GKOWYWPSKDBJAF-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	62.99
Topological Polar Surface Area	0
Polarizability	23.83
Ring Count	1
Rotatable Bond Count	6

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