2-bromo-4-fluoro-5-nitrobenzonitrile

2-bromo-4-fluoro-5-nitrobenzonitrile

CAS: 1379371-66-0

Formula: C7H2BrFN2O2

SMILES: [O-][N+](=O)C1=CC(C#N)=C(Br)C=C1F

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

InChI: InChI=1S/C7H2BrFN2O2/c8-5-2-6(9)7(11(12)13)1-4(5)3-10/h1-2H

Composition: C (34.32%), H (0.82%), Br (32.61%), F (7.75%), N (11.43%), O (13.06%)

Molar Mass: 245.007

Atom Count: 15

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	243.928368
Formal Charge	0
FSP3	0
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	PPKIJOKGRTZMOF-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	45.94
Topological Polar Surface Area	66.93
Polarizability	16.98
Ring Count	1
Rotatable Bond Count	1

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