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2-bromo-1-fluoro-4-(2,2,2-trifluoroethyl)benzene

2-bromo-1-fluoro-4-(2,2,2-trifluoroethyl)benzene

CAS: 1099598-18-1

Formula: C8H5BrF4

SMILES: FC1=C(Br)C=C(CC(F)(F)F)C=C1

IUPAC: 2-bromo-1-fluoro-4-(2,2,2-trifluoroethyl)benzene

InChI: InChI=1S/C8H5BrF4/c9-6-3-5(1-2-7(6)10)4-8(11,12)13/h1-3H,4H2

Composition: C (37.38%), H (1.96%), Br (31.09%), F (29.57%)

Molar Mass: 257.026

Atom Count: 18

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 255.951076
Formal Charge 0
FSP3 0.25
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 0
Hydrogen Bond Donor Count 0
InChIKey RLLUHBAOHDDFML-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 44.32
Topological Polar Surface Area 0
Polarizability 16.33
Ring Count 1
Rotatable Bond Count 2

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