1,3-diethyl 2-(3,6-dichloro-5-nitropyridin-2-yl)propanedioate

1,3-diethyl 2-(3,6-dichloro-5-nitropyridin-2-yl)propanedioate

CAS: 136888-77-2

Formula: C12H12Cl2N2O6

SMILES: CCOC(=O)C(C(=O)OCC)C1=C(Cl)C=C(C(Cl)=N1)[N+]([O-])=O

IUPAC: 1,3-diethyl 2-(3,6-dichloro-5-nitropyridin-2-yl)propanedioate

InChI: InChI=1S/C12H12Cl2N2O6/c1-3-21-11(17)8(12(18)22-4-2)9-6(13)5-7(16(19)20)10(14)15-9/h5,8H,3-4H2,1-2H3

Composition: C (41.05%), H (3.44%), Cl (20.19%), N (7.98%), O (27.34%)

Molar Mass: 351.14

Atom Count: 34

Heavy Atom Count: 22

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	350.0072415
Formal Charge	0
FSP3	0.42
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
InChIKey	HCNFCDJVZJGAHR-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	77.16
Topological Polar Surface Area	108.63
Polarizability	29.95
Ring Count	1
Rotatable Bond Count	8

Suppliers

Key Organics Ltd

Supplier Profile

Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<2 Days	136888-77-2		$51.35-$359.43$51.35$63.37$86.31$225.06$359.43