bis(4-methoxy-2-nitrobenzene-1-diazonium) dichlorozinc dichloride

• ChemBase ID: 107893
• Molecular Formular: C14H12Cl4N6O6Zn
• Molecular Mass: 567.47368
• Monoisotopic Mass: 563.88638485
• SMILES: [Cl-].[Cl-].Cl[Zn]Cl.COc1cc(c(cc1)[N+]#N)[N+](=O)[O-].COc1cc(c(cc1)[N+]#N)[N+](=O)[O-]
• Canonical SMILES: COc1ccc(c(c1)[N+](=O)[O-])[N+]#N.COc1ccc(c(c1)[N+](=O)[O-])[N+]#N.Cl[Zn]Cl.[Cl-].[Cl-]
• InChI: InChI=1S/2C7H6N3O3.4ClH.Zn/c2*1-13-5-2-3-6(9-8)7(4-5)10(11)12;;;;;/h2*2-4H,1H3;4*1H;/q2*+1;;;;;+2/p-4
• InChIKey: SFFMOMRYJYTFCT-UHFFFAOYSA-J

NAMES AND DATABASE IDS

Names

• IUPAC name: bis(4-methoxy-2-nitrobenzene-1-diazonium) dichlorozinc dichloride
• IUPAC Traditional name: bis(4-methoxy-2-nitrobenzenediazonium) zinc chloride dichloride
• Synonyms: BORDEAUX GPC SALT

Database IDs

• CAS Number: 96-96-8
• PubChem SID: 162094000
• PubChem CID: 13494709

CALCULATED PROPERTIES

• Acid pKa: 15.886726
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.5920522
• LogD (pH = 7.4): 1.5920522
• Log P: 1.5920522
• Molar Refractivity: 65.492 cm^3
• Polarizability: 16.156027 Å^3
• Polar Surface Area: 83.2 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: false

DETAILS

MP Biomedicals - 05205357

MP Biomedicals Rare Chemical collection