2-(2,3-dichlorophenyl)piperazine

• ChemBase ID: 807843
• Molecular Formular: C10H12Cl2N2
• Molecular Mass: 231.12168
• Monoisotopic Mass: 230.03775375
• SMILES: C1(CNCCN1)c1c(c(ccc1)Cl)Cl
• Canonical SMILES: Clc1c(C2CNCCN2)cccc1Cl
• InChI: InChI=1S/C10H12Cl2N2/c11-8-3-1-2-7(10(8)12)9-6-13-4-5-14-9/h1-3,9,13-14H,4-6H2
• InChIKey: SVLLXKUZGSRFBC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2,3-dichlorophenyl)piperazine
• IUPAC Traditional name: 2-(2,3-dichlorophenyl)piperazine
• Synonyms: 2-(2,3-DICHLORO-PHENYL)-PIPERAZINE

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -0.6672731
• LogD (pH = 7.4): 0.94342166
• Log P: 2.2635226
• Molar Refractivity: 59.3412 cm^3
• Polarizability: 23.78455 Å^3
• Polar Surface Area: 24.06 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%