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1-chloro-3-fluoro-5-(2,2,2-trifluoroethyl)benzene

1-chloro-3-fluoro-5-(2,2,2-trifluoroethyl)benzene

Formula: C8H5ClF4

SMILES: FC1=CC(CC(F)(F)F)=CC(Cl)=C1

IUPAC: 1-chloro-3-fluoro-5-(2,2,2-trifluoroethyl)benzene

InChI: InChI=1S/C8H5ClF4/c9-6-1-5(2-7(10)3-6)4-8(11,12)13/h1-3H,4H2

Composition: C (45.20%), H (2.37%), Cl (16.68%), F (35.75%)

Molar Mass: 212.57

Atom Count: 18

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 212.0015905
Formal Charge 0
FSP3 0.25
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 0
Hydrogen Bond Donor Count 0
InChIKey WHZKJLLLIOHXOP-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 41.5
Topological Polar Surface Area 0
Polarizability 15.12
Ring Count 1
Rotatable Bond Count 2

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Kinentia Biosciences LLC
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Purity LeadTime Formula PacketSize UnitPrice
95% <14 Days C8H5ClF4 $674.73$674.73
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