9,10-dioxo-9,10-dihydroanthracene-1-diazonium chloride

• ChemBase ID: 107542
• Molecular Formular: C14H7ClN2O2
• Molecular Mass: 270.67058
• Monoisotopic Mass: 270.01960515
• SMILES: O=C1c2ccccc2C(=O)c2c1cccc2[N+]#N.[Cl-]
• Canonical SMILES: N#[N+]c1cccc2c1C(=O)c1c(C2=O)cccc1.[Cl-]
• InChI: InChI=1S/C14H7N2O2.ClH/c15-16-11-7-3-6-10-12(11)14(18)9-5-2-1-4-8(9)13(10)17;/h1-7H;1H/q+1;/p-1
• InChIKey: QAJMZRMIUJJTBN-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: 9,10-dioxo-9,10-dihydroanthracene-1-diazonium chloride
• IUPAC Traditional name: 9,10-dioxoanthracene-1-diazonium chloride
• Synonyms: ANTHRAQUINONE-1-DIAZONIUM CHLORIDE

Database IDs

• CAS Number: 16048-40-1
• EC Number: 240-193-0
• PubChem SID: 162093755
• PubChem CID: 27657

CALCULATED PROPERTIES

• Acid pKa: 17.7597
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.7551997
• LogD (pH = 7.4): 2.7551997
• Log P: 2.7551997
• Molar Refractivity: 86.7971 cm^3
• Polarizability: 24.62313 Å^3
• Polar Surface Area: 62.29 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05204120

MP Biomedicals Rare Chemical collection