2-chlorobenzene-1-diazonium chloride

• ChemBase ID: 107595
• Molecular Formular: C6H4Cl2N2
• Molecular Mass: 175.01536
• Monoisotopic Mass: 173.9751535
• SMILES: [Cl-].Clc1c(cccc1)[N+]#N
• Canonical SMILES: N#[N+]c1ccccc1Cl.[Cl-]
• InChI: InChI=1S/C6H4ClN2.ClH/c7-5-3-1-2-4-6(5)9-8;/h1-4H;1H/q+1;/p-1
• InChIKey: ASAXBSZZWZWZBV-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chlorobenzene-1-diazonium chloride
• IUPAC Traditional name: 2-chlorobenzenediazonium chloride
• Synonyms: o-CHLOROANILINE DIAZOTATE

Database IDs

• PubChem SID: 162106118
• PubChem CID: 12228137

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.413784
• LogD (pH = 7.4): 2.413784
• Log P: 2.413784
• Molar Refractivity: 56.5089 cm^3
• Polarizability: 13.597941 Å^3
• Polar Surface Area: 28.15 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05204279

MP Biomedicals Rare Chemical collection