2-chlorophenanthrene

• ChemBase ID: 90911
• Molecular Formular: C14H9Cl
• Molecular Mass: 212.67426
• Monoisotopic Mass: 212.03927797
• SMILES: Clc1ccc2c(c1)ccc1ccccc21
• Canonical SMILES: Clc1ccc2c(c1)ccc1c2cccc1
• InChI: InChI=1S/C14H9Cl/c15-12-7-8-14-11(9-12)6-5-10-3-1-2-4-13(10)14/h1-9H
• InChIKey: HJNAELFLZXCHQK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chlorophenanthrene
• IUPAC Traditional name: phenanthrene, 2-chloro-
• Synonyms: 2-Chlorophenanthrene

Database IDs

• CAS Number: 24423-11-8
• PubChem SID: 162077620
• PubChem CID: 32363

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.556244
• LogD (pH = 7.4): 4.556244
• Log P: 4.556244
• Molar Refractivity: 63.7632 cm^3
• Polarizability: 27.407896 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Harmful/Irritant