N,N-bis(cyanomethyl)-2,6-dimethoxybenzamide

N,N-bis(cyanomethyl)-2,6-dimethoxybenzamide

Formula: C13H13N3O3

SMILES: COC1=CC=CC(OC)=C1C(=O)N(CC#N)CC#N

IUPAC: N,N-bis(cyanomethyl)-2,6-dimethoxybenzamide

InChI: InChI=1S/C13H13N3O3/c1-18-10-4-3-5-11(19-2)12(10)13(17)16(8-6-14)9-7-15/h3-5H,8-9H2,1-2H3

Composition: C (60.23%), H (5.05%), N (16.21%), O (18.51%)

Molar Mass: 259.265

Atom Count: 32

Heavy Atom Count: 19

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	259.095691291
Formal Charge	0
FSP3	0.31
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
InChIKey	QZYTYPLQQFXQTN-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	67.98
Topological Polar Surface Area	86.35
Polarizability	25.32
Ring Count	1
Rotatable Bond Count	5

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C13H13N3O3		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00