1-iodo-2,4-dinitrobenzene

1-iodo-2,4-dinitrobenzene

CAS: 709-49-9

Formula: C6H3IN2O4

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

IUPAC: 1-iodo-2,4-dinitrobenzene

InChI: InChI=1S/C6H3IN2O4/c7-5-2-1-4(8(10)11)3-6(5)9(12)13/h1-3H

Composition: C (24.51%), H (1.03%), I (43.16%), N (9.53%), O (21.77%)

Molar Mass: 294.004

Atom Count: 16

Heavy Atom Count: 13

Properties

Properties

Common Names	4-iodo-1,3-dintrobenzene; 6-iodo-1,3-dintrobenzene
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	293.91375
Formal Charge	0
FSP3	0
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	FXMKXMJLXRTQSW-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	52.06
Topological Polar Surface Area	86.28
Polarizability	19.74
Ring Count	1
Rotatable Bond Count	2

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