1,5-dichloronaphthalene

• ChemBase ID: 798118
• Molecular Formular: C10H6Cl2
• Molecular Mass: 197.06064
• Monoisotopic Mass: 195.98465555
• SMILES: c1cc2c(c(c1)Cl)cccc2Cl
• Canonical SMILES: Clc1cccc2c1cccc2Cl
• InChI: InChI=1S/C10H6Cl2/c11-9-5-1-3-7-8(9)4-2-6-10(7)12/h1-6H
• InChIKey: ZBQZXTBAGBTUAD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,5-dichloronaphthalene
• IUPAC Traditional name: 1,5-dichloronaphthalene
• Synonyms: 1,5-dichloroNaphthalene

Database IDs

• CAS Number: 1825-30-5

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.170812
• LogD (pH = 7.4): 4.170812
• Log P: 4.170812
• Molar Refractivity: 52.1178 cm^3
• Polarizability: 21.57916 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%