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5-bromo-4-chloro-2-(trifluoromethyl)benzonitrile

5-bromo-4-chloro-2-(trifluoromethyl)benzonitrile

CAS: 1242339-26-9

Formula: C8H2BrClF3N

SMILES: FC(F)(F)C1=C(C=C(Br)C(Cl)=C1)C#N

IUPAC: 5-bromo-4-chloro-2-(trifluoromethyl)benzonitrile

InChI: InChI=1S/C8H2BrClF3N/c9-6-1-4(3-14)5(2-7(6)10)8(11,12)13/h1-2H

Composition: C (33.78%), H (0.71%), Br (28.09%), Cl (12.46%), F (20.04%), N (4.92%)

Molar Mass: 284.46

Atom Count: 16

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 282.901124
Formal Charge 0
FSP3 0.12
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 0
InChIKey VQIQQICDOJBKTM-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 50.18
Topological Polar Surface Area 23.79
Polarizability 18.55
Ring Count 1
Rotatable Bond Count 1

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