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paraquat dichloride

paraquat dichloride

CAS: 1910-42-5

Formula: C12H14Cl2N2

SMILES: [Cl-].[Cl-].C[N+]1=CC=C(C=C1)C1=CC=[N+](C)C=C1

IUPAC: 1,1'-dimethyl-[4,4'-bipyridine]-1,1'-diium dichloride

InChI: InChI=1S/C12H14N2.2ClH/c1-13-7-3-11(4-8-13)12-5-9-14(2)10-6-12;;/h3-10H,1-2H3;2*1H/q+2;;/p-2

Composition: C (56.05%), H (5.49%), Cl (27.57%), N (10.89%)

Molar Mass: 257.16

Atom Count: 30

Heavy Atom Count: 16

Properties
Properties
Common Names methyl viologen dichloride; paraquat dichloride
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 256.0534039
Formal Charge 0
FSP3 0.17
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 0
Hydrogen Bond Donor Count 0
InChIKey FIKAKWIAUPDISJ-UHFFFAOYSA-L
Lipinski's Rule of Five 1
Molar Refractivity 59.19
Topological Polar Surface Area 7.76
Polarizability 23.59
Ring Count 2
Rotatable Bond Count 1

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