4-chloro-2-fluoro-5-nitrobenzonitrile

4-chloro-2-fluoro-5-nitrobenzonitrile

CAS: 1242269-80-2

Formula: C7H2ClFN2O2

SMILES: [O-][N+](=O)C1=CC(C#N)=C(F)C=C1Cl

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

InChI: InChI=1S/C7H2ClFN2O2/c8-5-2-6(9)4(3-10)1-7(5)11(12)13/h1-2H

Composition: C (41.92%), H (1.01%), Cl (17.68%), F (9.47%), N (13.97%), O (15.95%)

Molar Mass: 200.55

Atom Count: 15

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	199.9788832
Formal Charge	0
FSP3	0
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	ZDHOTDZFFZOKPK-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	43.12
Topological Polar Surface Area	66.93
Polarizability	15.88
Ring Count	1
Rotatable Bond Count	1

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