2-(2-fluoro-6-methoxyphenyl)acetonitrile

2-(2-fluoro-6-methoxyphenyl)acetonitrile

CAS: 500912-18-5

Formula: C9H8FNO

SMILES: COC1=CC=CC(F)=C1CC#N

IUPAC: 2-(2-fluoro-6-methoxyphenyl)acetonitrile

InChI: InChI=1S/C9H8FNO/c1-12-9-4-2-3-8(10)7(9)5-6-11/h2-4H,5H2,1H3

Composition: C (65.45%), H (4.88%), F (11.50%), N (8.48%), O (9.69%)

Molar Mass: 165.167

Atom Count: 20

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	165.058992045
Formal Charge	0
FSP3	0.22
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	IHTMDGUTWAQZBU-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	43.02
Topological Polar Surface Area	33.02
Polarizability	16.06
Ring Count	1
Rotatable Bond Count	2

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