2,4,5-trichloro-6-(1,4,7,10-tetraoxa-13-azacyclopentadecan-13-yl)pyridine-3-carbonitrile

2,4,5-trichloro-6-(1,4,7,10-tetraoxa-13-azacyclopentadecan-13-yl)pyridine-3-carbonitrile

Formula: C16H20Cl3N3O4

SMILES: ClC1=C(C#N)C(Cl)=C(Cl)C(=N1)N1CCOCCOCCOCCOCC1

IUPAC: 2,4,5-trichloro-6-(1,4,7,10-tetraoxa-13-azacyclopentadecan-13-yl)pyridine-3-carbonitrile

InChI: InChI=1S/C16H20Cl3N3O4/c17-13-12(11-20)15(19)21-16(14(13)18)22-1-3-23-5-7-25-9-10-26-8-6-24-4-2-22/h1-10H2

Composition: C (45.25%), H (4.75%), Cl (25.04%), N (9.89%), O (15.07%)

Molar Mass: 424.7

Atom Count: 46

Heavy Atom Count: 26

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	423.0519392
Formal Charge	0
FSP3	0.62
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	0
InChIKey	KDGFNWNHELGDDW-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	102.05
Topological Polar Surface Area	76.84
Polarizability	38.87
Ring Count	2
Rotatable Bond Count	1

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C16H20Cl3N3O4		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00