2,6-bis(bromomethyl)-9,10-dichloroanthracene

• ChemBase ID: 167047
• Molecular Formular: C16H10Br2Cl2
• Molecular Mass: 432.9646
• Monoisotopic Mass: 429.85262968
• SMILES: c1cc(cc2c1c(c1c(c2Cl)ccc(c1)CBr)Cl)CBr
• Canonical SMILES: BrCc1ccc2c(c1)c(Cl)c1c(c2Cl)cc(cc1)CBr
• InChI: InChI=1S/C16H10Br2Cl2/c17-7-9-1-3-11-13(5-9)16(20)12-4-2-10(8-18)6-14(12)15(11)19/h1-6H,7-8H2
• InChIKey: GSTSDRRGFXXPHF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,6-bis(bromomethyl)-9,10-dichloroanthracene
• IUPAC Traditional name: 2,6-bis(bromomethyl)-9,10-dichloroanthracene
• Synonyms: 2,6-Bis(bromomethyl)-9,10-dichloro-anthracene; 9,10-Dichloro-2,6-bis(bromomethyl)anthracene

Database IDs

• CAS Number: 887354-43-0
• PubChem SID: 162261180
• PubChem CID: 4686242

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 6.7057633
• LogD (pH = 7.4): 6.7057633
• Log P: 6.7057633
• Molar Refractivity: 94.2688 cm^3
• Polarizability: 38.040146 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Solubility: Hot DMF; Hot DMSO
• Apperance: Yellow Crystals
• Melting Point: >210°C