3-fluoro-5-nitrobenzonitrile

3-fluoro-5-nitrobenzonitrile

CAS: 110882-60-5

Formula: C7H3FN2O2

SMILES: [O-][N+](=O)C1=CC(=CC(F)=C1)C#N

IUPAC: 3-fluoro-5-nitrobenzonitrile

InChI: InChI=1S/C7H3FN2O2/c8-6-1-5(4-9)2-7(3-6)10(11)12/h1-3H

Composition: C (50.61%), H (1.82%), F (11.44%), N (16.86%), O (19.26%)

Molar Mass: 166.111

Atom Count: 15

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	166.017855508
Formal Charge	0
FSP3	0
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	GPVDTRGEVKDJOI-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	38.32
Topological Polar Surface Area	66.93
Polarizability	13.86
Ring Count	1
Rotatable Bond Count	1

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Kinentia Biosciences LLC

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