3-fluoro-5-methoxy-4-nitrobenzonitrile

3-fluoro-5-methoxy-4-nitrobenzonitrile

CAS: 1137869-92-1

Formula: C8H5FN2O3

SMILES: COC1=CC(=CC(F)=C1[N+]([O-])=O)C#N

IUPAC: 3-fluoro-5-methoxy-4-nitrobenzonitrile

InChI: InChI=1S/C8H5FN2O3/c1-14-7-3-5(4-10)2-6(9)8(7)11(12)13/h2-3H,1H3

Composition: C (48.99%), H (2.57%), F (9.69%), N (14.28%), O (24.47%)

Molar Mass: 196.137

Atom Count: 19

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	196.028420192
Formal Charge	0
FSP3	0.12
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	RMIUUPBNJHYNJG-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	44.78
Topological Polar Surface Area	76.16
Polarizability	16.43
Ring Count	1
Rotatable Bond Count	2

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