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N-(2-cyano-3-fluorophenyl)acetamide

N-(2-cyano-3-fluorophenyl)acetamide

CAS: 1155146-72-7

Formula: C9H7FN2O

SMILES: CC(=O)NC1=CC=CC(F)=C1C#N

IUPAC: N-(2-cyano-3-fluorophenyl)acetamide

InChI: InChI=1S/C9H7FN2O/c1-6(13)12-9-4-2-3-8(10)7(9)5-11/h2-4H,1H3,(H,12,13)

Composition: C (60.67%), H (3.96%), F (10.66%), N (15.72%), O (8.98%)

Molar Mass: 178.166

Atom Count: 20

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 178.054241016
Formal Charge 0
FSP3 0.11
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey YFVFTRGWSNJEMC-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 46.86
Topological Polar Surface Area 52.89
Polarizability 16.76
Ring Count 1
Rotatable Bond Count 1

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