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2-(3-fluoro-2-methoxyphenyl)acetonitrile

2-(3-fluoro-2-methoxyphenyl)acetonitrile

CAS: 1017779-73-5

Formula: C9H8FNO

SMILES: COC1=C(CC#N)C=CC=C1F

IUPAC: 2-(3-fluoro-2-methoxyphenyl)acetonitrile

InChI: InChI=1S/C9H8FNO/c1-12-9-7(5-6-11)3-2-4-8(9)10/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 BJLRKDHTBLBCFT-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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