1,3-dichloro-2-fluoro-4,5-dinitrobenzene

1,3-dichloro-2-fluoro-4,5-dinitrobenzene

CAS: 2816914-50-6

Formula: C6HCl2FN2O4

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

IUPAC: 1,3-dichloro-2-fluoro-4,5-dinitrobenzene

InChI: InChI=1S/C6HCl2FN2O4/c7-2-1-3(10(12)13)6(11(14)15)4(8)5(2)9/h1H

Composition: C (28.26%), H (0.40%), Cl (27.81%), F (7.45%), N (10.99%), O (25.10%)

Molar Mass: 254.98

Atom Count: 16

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	253.9297401
Formal Charge	0
FSP3	0
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	QICPAGQMHGXHDW-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	48.53
Topological Polar Surface Area	86.28
Polarizability	18.22
Ring Count	1
Rotatable Bond Count	2

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