9,10-dichloro-2,6-dimethylanthracene

• ChemBase ID: 167063
• Molecular Formular: C16H12Cl2
• Molecular Mass: 275.17248
• Monoisotopic Mass: 274.03160574
• SMILES: c1cc(cc2c1c(c1c(c2Cl)ccc(c1)C)Cl)C
• Canonical SMILES: Cc1ccc2c(c1)c(Cl)c1c(c2Cl)cc(cc1)C
• InChI: InChI=1S/C16H12Cl2/c1-9-3-5-11-13(7-9)15(17)12-6-4-10(2)8-14(12)16(11)18/h3-8H,1-2H3
• InChIKey: MSPFHAUJGCSBSJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 9,10-dichloro-2,6-dimethylanthracene
• IUPAC Traditional name: 9,10-dichloro-2,6-dimethylanthracene
• Synonyms: 9,10-Dichloro-2,6-dimethyl-anthracene; 9,10-Dichloro-2,6-dimethylanthracene

Database IDs

• CAS Number: 887354-46-3
• PubChem SID: 162261196
• PubChem CID: 3514670

CALCULATED PROPERTIES

• Lipinski's Rule of Five: false
• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 6.1871314
• LogD (pH = 7.4): 6.1871314
• Log P: 6.1871314
• Molar Refractivity: 78.6504 cm^3
• Polarizability: 32.7086 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0

PROPERTIES

Physical Property

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