9,10-dichloro-2-methylanthracene; ethane

• ChemBase ID: 167064
• Molecular Formular: C17H16Cl2
• Molecular Mass: 291.21494
• Monoisotopic Mass: 290.06290587
• SMILES: c1cc(cc2c1c(c1c(c2Cl)cccc1)Cl)C.CC
• Canonical SMILES: Cc1ccc2c(c1)c(Cl)c1c(c2Cl)cccc1.CC
• InChI: InChI=1S/C15H10Cl2.C2H6/c1-9-6-7-12-13(8-9)15(17)11-5-3-2-4-10(11)14(12)16;1-2/h2-8H,1H3;1-2H3
• InChIKey: BZQNBXULYIIDMR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 9,10-dichloro-2-methylanthracene; ethane
• IUPAC Traditional name: 9,10-dichloro-2-methylanthracene; ethane
• Synonyms: 9,10-Dichloro-2,6(7)-dimethylanthracene

Database IDs

• PubChem SID: 162261197
• PubChem CID: 45038965

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 5.67371
• LogD (pH = 7.4): 5.67371
• Log P: 5.67371
• Molar Refractivity: 73.6092 cm^3
• Polarizability: 30.944784 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Solubility: Chloroform; Dichloromethane; Ethyl Acetate
• Apperance: Yellow Solid