1-chloro-7-methoxynaphthalene

• ChemBase ID: 806442
• Molecular Formular: C11H9ClO
• Molecular Mass: 192.64156
• Monoisotopic Mass: 192.03419259
• SMILES: c1(cc2c(cc1)cccc2Cl)OC
• Canonical SMILES: COc1ccc2c(c1)c(Cl)ccc2
• InChI: InChI=1S/C11H9ClO/c1-13-9-6-5-8-3-2-4-11(12)10(8)7-9/h2-7H,1H3
• InChIKey: JDSWHTLMVDIJJD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-chloro-7-methoxynaphthalene
• IUPAC Traditional name: 1-chloro-7-methoxynaphthalene
• Synonyms: 1-CHLORO-7-METHOXYNAPHTHALENE

Database IDs

• CAS Number: 550998-27-1

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.409096
• LogD (pH = 7.4): 3.409096
• Log P: 3.409096
• Molar Refractivity: 53.7762 cm^3
• Polarizability: 22.242884 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%