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Chemical structure of Diquat dibromide hydrate

GC61474

Diquat dibromide hydrate

Also known as 7,10-diazoniatricyclo[8.4.0.02,7]tetradeca-1(14),2,4,6,10,12-hexaene;dibromide;hydrate

Diquat dibromide hydrate is a diazine-like herbicide including two nitrogen atoms

ChemicalCAS6385-62-2MW362.06FormulaC12H14Br2N2O
CAS number
6385-62-2
Molecular weight
362.06
Formula
C12H14Br2N2O
Solubility
Water: 125 mg/mL (345·25 mM)
InChIKey
KLJOSQAQZMLLMB-UHFFFAOYSA-L
Catalogue number
GC61474
Brand
GLPBIO
Computed properties PubChem CID 115268 · TPSA 8.8 Ų · H-bond donors 1 · H-bond acceptors 3
TPSA
8.8 Ų
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
0
Heavy atoms
17

SMILES C1C[N+]2=CC=CC=C2C3=CC=CC=[N+]31.O.[Br-].[Br-]

Computed descriptors from PubChem (CID 115268), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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