N,N-bis(cyanomethyl)-2-iodobenzamide

N,N-bis(cyanomethyl)-2-iodobenzamide

Formula: C11H8IN3O

SMILES: IC1=CC=CC=C1C(=O)N(CC#N)CC#N

IUPAC: N,N-bis(cyanomethyl)-2-iodobenzamide

InChI: InChI=1S/C11H8IN3O/c12-10-4-2-1-3-9(10)11(16)15(7-5-13)8-6-14/h1-4H,7-8H2

Composition: C (40.64%), H (2.48%), I (39.03%), N (12.93%), O (4.92%)

Molar Mass: 325.109

Atom Count: 24

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	324.97121
Formal Charge	0
FSP3	0.18
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	KHXRYIIJXJHDAR-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	68.42
Topological Polar Surface Area	67.89
Polarizability	25.5
Ring Count	1
Rotatable Bond Count	3

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C11H8IN3O		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00