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4-fluoro-3-iodobenzonitrile

4-fluoro-3-iodobenzonitrile

CAS: 159719-57-0

Formula: C7H3FIN

SMILES: FC1=CC=C(C=C1I)C#N

IUPAC: 4-fluoro-3-iodobenzonitrile

InChI: InChI=1S/C7H3FIN/c8-6-2-1-5(4-10)3-7(6)9/h1-3H

Composition: C (34.04%), H (1.22%), F (7.69%), I (51.38%), N (5.67%)

Molar Mass: 247.011

Atom Count: 13

Heavy Atom Count: 10

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 246.92942
Formal Charge 0
FSP3 0
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 0
InChIKey SXQVRZMBNRJTHU-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 45.36
Topological Polar Surface Area 23.79
Polarizability 17.21
Ring Count 1
Rotatable Bond Count 0

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98% <7 Days 159719-57-0 $21.74-$427.46$21.74$35.19$84.87$368.46$427.46
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