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4-bromo-4'-(trifluoromethoxy)-1,1'-biphenyl

4-bromo-4'-(trifluoromethoxy)-1,1'-biphenyl

CAS: 134150-03-1

Formula: C13H8BrF3O

SMILES: FC(F)(F)OC1=CC=C(C=C1)C1=CC=C(Br)C=C1

IUPAC: 4-bromo-4'-(trifluoromethoxy)-1,1'-biphenyl

InChI: InChI=1S/C13H8BrF3O/c14-11-5-1-9(2-6-11)10-3-7-12(8-4-10)18-13(15,16)17/h1-8H

Composition: C (49.24%), H (2.54%), Br (25.20%), F (17.97%), O (5.05%)

Molar Mass: 317.105

Atom Count: 26

Heavy Atom Count: 18

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 315.971062
Formal Charge 0
FSP3 0.08
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 0
InChIKey SOJDIXJKGSONDR-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 61.89
Topological Polar Surface Area 9.23
Polarizability 25.84
Ring Count 2
Rotatable Bond Count 3

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