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2-[4-fluoro-3-(trifluoromethyl)phenyl]acetonitrile

2-[4-fluoro-3-(trifluoromethyl)phenyl]acetonitrile

CAS: 220239-65-6

Formula: C9H5F4N

SMILES: FC1=C(C=C(CC#N)C=C1)C(F)(F)F

IUPAC: 2-[4-fluoro-3-(trifluoromethyl)phenyl]acetonitrile

InChI: InChI=1S/C9H5F4N/c10-8-2-1-6(3-4-14)5-7(8)9(11,12)13/h1-2,5H,3H2

Composition: C (53.21%), H (2.48%), F (37.41%), N (6.90%)

Molar Mass: 203.14

Atom Count: 19

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 203.035811817
Formal Charge 0
FSP3 0.22
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 0
InChIKey ZWNJWEIQLXEBAM-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 42.53
Topological Polar Surface Area 23.79
Polarizability 14.91
Ring Count 1
Rotatable Bond Count 2

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90% <2 Days 220239-65-6 $51.35-$86.31$51.35$63.37$86.31
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