{5-[(acetyloxy)mercurio]-2-amino-3-methylphenyl}mercurio acetate

• ChemBase ID: 111332
• Molecular Formular: C11H13Hg2NO4
• Molecular Mass: 624.40522
• Monoisotopic Mass: 627.0257439
• SMILES: CC(=O)O[Hg]c1cc([Hg]OC(=O)C)c(N)c(C)c1
• Canonical SMILES: CC(=O)O[Hg]c1cc([Hg]OC(=O)C)c(c(c1)C)N
• InChI: InChI=1S/C7H7N.2C2H4O2.2Hg/c1-6-4-2-3-5-7(6)8;2*1-2(3)4;;/h3-4H,8H2,1H3;2*1H3,(H,3,4);;/q;;;2*+1/p-2
• InChIKey: ZSIKYPOIFAESCC-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: {5-[(acetyloxy)mercurio]-2-amino-3-methylphenyl}mercurio acetate
• IUPAC Traditional name: {5-[(acetyloxy)mercurio]-2-amino-3-methylphenyl}mercurio acetate
• Synonyms: 1,2-TOLUIDINE-4,6-DIMERCURIACETATE

Database IDs

• PubChem SID: 162106503
• PubChem CID: 44135924

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.6719547
• LogD (pH = 7.4): -0.67160445
• Log P: -0.6716
• Molar Refractivity: 58.0644 cm^3
• Polarizability: 37.257713 Å^3
• Polar Surface Area: 78.62 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: false

DETAILS

MP Biomedicals - 05218670

MP Biomedicals Rare Chemical collection