8,10-dichloro-3-oxatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaene-2,4-dione

• ChemBase ID: 798217
• Molecular Formular: C12H4Cl2O3
• Molecular Mass: 267.06436
• Monoisotopic Mass: 265.95374935
• SMILES: c1c2c3c(c(c1)Cl)c(ccc3C(=O)OC2=O)Cl
• Canonical SMILES: O=C1OC(=O)c2c3c1ccc(c3c(cc2)Cl)Cl
• InChI: InChI=1S/C12H4Cl2O3/c13-7-3-1-5-9-6(12(16)17-11(5)15)2-4-8(14)10(7)9/h1-4H
• InChIKey: FCSWROAHPQGTNM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8,10-dichloro-3-oxatricyclo[7.3.1.0^5,^1^3]trideca-1(13),5,7,9,11-pentaene-2,4-dione
• IUPAC Traditional name: 8,10-dichloro-3-oxatricyclo[7.3.1.0^5,^1^3]trideca-1(13),5,7,9,11-pentaene-2,4-dione
• Synonyms: 4,5-dichloroNaphthalene-1,8-dicarboxylic anhydride

Database IDs

• CAS Number: 7267-14-3

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.6201499
• LogD (pH = 7.4): 3.6201499
• Log P: 3.6201499
• Molar Refractivity: 63.4248 cm^3
• Polarizability: 25.386017 Å^3
• Polar Surface Area: 43.37 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%