2-(5-fluoro-2-nitrophenyl)acetonitrile

2-(5-fluoro-2-nitrophenyl)acetonitrile

CAS: 3456-75-5

Formula: C8H5FN2O2

SMILES: [O-][N+](=O)C1=CC=C(F)C=C1CC#N

IUPAC: 2-(5-fluoro-2-nitrophenyl)acetonitrile

InChI: InChI=1S/C8H5FN2O2/c9-7-1-2-8(11(12)13)6(5-7)3-4-10/h1-2,5H,3H2

Composition: C (53.34%), H (2.80%), F (10.55%), N (15.55%), O (17.76%)

Molar Mass: 180.138

Atom Count: 18

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	180.033505572
Formal Charge	0
FSP3	0.12
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	YETOJTGGLXHUCS-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	42.88
Topological Polar Surface Area	66.93
Polarizability	15.53
Ring Count	1
Rotatable Bond Count	2

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