2,4-difluoro-5-nitrobenzonitrile

2,4-difluoro-5-nitrobenzonitrile

CAS: 67152-20-9

Formula: C7H2F2N2O2

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

IUPAC: 2,4-difluoro-5-nitrobenzonitrile

InChI: InChI=1S/C7H2F2N2O2/c8-5-2-6(9)7(11(12)13)1-4(5)3-10/h1-2H

Composition: C (45.67%), H (1.10%), F (20.64%), N (15.22%), O (17.38%)

Molar Mass: 184.102

Atom Count: 15

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	184.008433638
Formal Charge	0
FSP3	0
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	MREZSSGRNNMUKZ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	38.53
Topological Polar Surface Area	66.93
Polarizability	13.74
Ring Count	1
Rotatable Bond Count	1

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