2-chloronaphthalene

• ChemBase ID: 110647
• Molecular Formular: C10H7Cl
• Molecular Mass: 162.61558
• Monoisotopic Mass: 162.0236279
• SMILES: Clc1ccc2ccccc2c1
• Canonical SMILES: Clc1ccc2c(c1)cccc2
• InChI: InChI=1S/C10H7Cl/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-7H
• InChIKey: CGYGETOMCSJHJU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloronaphthalene
• IUPAC Traditional name: 2-chloronaphthalene
• Synonyms: 2-Chloronaphthalene; β-CHLORONAPTHALENE

Database IDs

• CAS Number: 91-58-7
• MDL Number: MFCD00035731
• PubChem SID: 162090518
• PubChem CID: 7056

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.5667672
• LogD (pH = 7.4): 3.5667672
• Log P: 3.5667672
• Molar Refractivity: 47.313 cm^3
• Polarizability: 19.765703 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 98%

DETAILS

MP Biomedicals - 05215814

MP Biomedicals Rare Chemical collection