sodium (2,5-dichlorophenyl)diazenolate

• ChemBase ID: 109448
• Molecular Formular: C6H3Cl2N2NaO
• Molecular Mass: 212.99659
• Monoisotopic Mass: 211.95201237
• SMILES: [Na+].[O-]/N=N/c1c(Cl)ccc(Cl)c1
• Canonical SMILES: [O-]/N=N/c1cc(Cl)ccc1Cl.[Na+]
• InChI: InChI=1S/C6H4Cl2N2O.Na/c7-4-1-2-5(8)6(3-4)9-10-11;/h1-3H,(H,9,11);/q;+1/p-1
• InChIKey: AFOINDWJBKIFCC-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: sodium (2,5-dichlorophenyl)diazenolate
• IUPAC Traditional name: potassium (2,5-dichlorophenyl)diazenolate
• Synonyms: 2,5-DICHLOROANILINE DIAZOTATE

Database IDs

• PubChem SID: 162106287
• PubChem CID: 23684904

CALCULATED PROPERTIES

• Acid pKa: 9.94402
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.702397
• LogD (pH = 7.4): 3.7011786
• Log P: 3.7024126
• Molar Refractivity: 45.9552 cm^3
• Polarizability: 16.237024 Å^3
• Polar Surface Area: 47.78 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05211093

MP Biomedicals Rare Chemical collection