3-iodo-5-nitro-N-(4-nitrophenyl)benzamide

3-iodo-5-nitro-N-(4-nitrophenyl)benzamide

Formula: C13H8IN3O5

SMILES: [O-][N+](=O)C1=CC=C(NC(=O)C2=CC(=CC(I)=C2)[N+]([O-])=O)C=C1

IUPAC: 3-iodo-5-nitro-N-(4-nitrophenyl)benzamide

InChI: InChI=1S/C13H8IN3O5/c14-9-5-8(6-12(7-9)17(21)22)13(18)15-10-1-3-11(4-2-10)16(19)20/h1-7H,(H,15,18)

Composition: C (37.80%), H (1.95%), I (30.72%), N (10.17%), O (19.36%)

Molar Mass: 413.127

Atom Count: 30

Heavy Atom Count: 22

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	412.95087
Formal Charge	0
FSP3	0
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
InChIKey	ZOHQGXUKLYYUSF-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	87.59
Topological Polar Surface Area	115.38
Polarizability	32.12
Ring Count	2
Rotatable Bond Count	4

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C13H8IN3O5		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00