2-fluoro-4-methyl-5-nitrobenzonitrile

2-fluoro-4-methyl-5-nitrobenzonitrile

CAS: 1695920-54-7

Formula: C8H5FN2O2

SMILES: CC1=CC(F)=C(C=C1[N+]([O-])=O)C#N

IUPAC: 2-fluoro-4-methyl-5-nitrobenzonitrile

InChI: InChI=1S/C8H5FN2O2/c1-5-2-7(9)6(4-10)3-8(5)11(12)13/h2-3H,1H3

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	FSHNWWKZVLPEQS-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	43.36
Topological Polar Surface Area	66.93
Polarizability	15.6
Ring Count	1
Rotatable Bond Count	1

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