4-fluoro-3-methoxybenzonitrile

4-fluoro-3-methoxybenzonitrile

CAS: 243128-37-2

Formula: C8H6FNO

SMILES: COC1=C(F)C=CC(=C1)C#N

IUPAC: 4-fluoro-3-methoxybenzonitrile

InChI: InChI=1S/C8H6FNO/c1-11-8-4-6(5-10)2-3-7(8)9/h2-4H,1H3

Composition: C (63.58%), H (4.00%), F (12.57%), N (9.27%), O (10.59%)

Molar Mass: 151.14

Atom Count: 17

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	151.04334198
Formal Charge	0
FSP3	0.12
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	FOWHAPVFVBXMBK-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	38.46
Topological Polar Surface Area	33.02
Polarizability	14.37
Ring Count	1
Rotatable Bond Count	1

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