8-bromonaphthalene-1-carbonyl 8-bromonaphthalene-1-carboxylate

• ChemBase ID: 80308
• Molecular Formular: C22H12Br2O3
• Molecular Mass: 484.13688
• Monoisotopic Mass: 481.91531824
• SMILES: O(C(=O)c1cccc2cccc(c12)Br)C(=O)c1c2c(cccc2ccc1)Br
• Canonical SMILES: O=C(c1cccc2c1c(Br)ccc2)OC(=O)c1cccc2c1c(Br)ccc2
• InChI: InChI=1S/C22H12Br2O3/c23-17-11-3-7-13-5-1-9-15(19(13)17)21(25)27-22(26)16-10-2-6-14-8-4-12-18(24)20(14)16/h1-12H
• InChIKey: WWNFTCFXAULWOO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-bromonaphthalene-1-carbonyl 8-bromonaphthalene-1-carboxylate
• IUPAC Traditional name: 8-bromonaphthalene-1-carbonyl 8-bromonaphthalene-1-carboxylate
• Synonyms: 8-bromo-1-naphthoic anhydride

Database IDs

• MDL Number: MFCD01313725
• PubChem SID: 162067428
• PubChem CID: 2776001

CALCULATED PROPERTIES

• H Donor: 0
• LogD (pH = 5.5): 7.3122883
• LogD (pH = 7.4): 7.3122883
• Log P: 7.3122883
• Molar Refractivity: 111.569 cm^3
• Polarizability: 44.797745 Å^3
• Polar Surface Area: 43.37 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: false
• H Acceptors: 2