methyl 3,6-dichloropyridazine-4-carboxylate

methyl 3,6-dichloropyridazine-4-carboxylate

CAS: 286946-24-5

Formula: C6H4Cl2N2O2

SMILES: COC(=O)C1=CC(Cl)=NN=C1Cl

IUPAC: methyl 3,6-dichloropyridazine-4-carboxylate

InChI: InChI=1S/C6H4Cl2N2O2/c1-12-6(11)3-2-4(7)9-10-5(3)8/h2H,1H3

Composition: C (34.81%), H (1.95%), Cl (34.25%), N (13.53%), O (15.46%)

Molar Mass: 207.01

Atom Count: 16

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	205.9649828
Formal Charge	0
FSP3	0.17
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	LQNIJCUBJNDOHH-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	47.52
Topological Polar Surface Area	52.08
Polarizability	17.13
Ring Count	1
Rotatable Bond Count	2

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