9,10-bis(chloromethyl)anthracene

• ChemBase ID: 180002
• Molecular Formular: C16H12Cl2
• Molecular Mass: 275.17248
• Monoisotopic Mass: 274.03160574
• SMILES: c1cccc2c(c3ccccc3c(c12)CCl)CCl
• Canonical SMILES: ClCc1c2ccccc2c(c2c1cccc2)CCl
• InChI: InChI=1S/C16H12Cl2/c17-9-15-11-5-1-2-6-12(11)16(10-18)14-8-4-3-7-13(14)15/h1-8H,9-10H2
• InChIKey: UOSROERWQJTVNU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 9,10-bis(chloromethyl)anthracene
• IUPAC Traditional name: 9,10-bis(chloromethyl)anthracene
• Synonyms: 9,10-bis(Chloromethyl)anthracene

Database IDs

• CAS Number: 10387-13-0
• MDL Number: MFCD00045388
• PubChem SID: 164235912
• PubChem CID: 25219

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 5.1266837
• LogD (pH = 7.4): 5.1266837
• Log P: 5.1266837
• Molar Refractivity: 78.6922 cm^3
• Polarizability: 32.728027 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Purity: 95+%; 98%