2-(2-fluoro-4-methylphenyl)acetonitrile

2-(2-fluoro-4-methylphenyl)acetonitrile

CAS: 518070-26-3

Formula: C9H8FN

SMILES: CC1=CC=C(CC#N)C(F)=C1

IUPAC: 2-(2-fluoro-4-methylphenyl)acetonitrile

InChI: InChI=1S/C9H8FN/c1-7-2-3-8(4-5-11)9(10)6-7/h2-3,6H,4H2,1H3

Composition: C (72.47%), H (5.41%), F (12.74%), N (9.39%)

Molar Mass: 149.168

Atom Count: 19

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	149.064077425
Formal Charge	0
FSP3	0.22
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	CYKIAFUFMNTJCA-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	41.6
Topological Polar Surface Area	23.79
Polarizability	15.27
Ring Count	1
Rotatable Bond Count	1

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Key Organics Ltd

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Struchem co.,ltd

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