CAS
90978-94-2 Purity
96%
90978-94-2 Purity
96%
If you have any other questions or need other size, please get a quote.
The molecular formula is C13H8Br2O.
The molecular weight is 340.01 g/mol.
It was created on February 16, 2015.
It was last modified on December 30, 2023.
The IUPAC name is 2,2-dibromo-1H-cyclopenta[b]naphthalen-3-one.
The InChI is InChI=1S/C13H8Br2O/c14-13(15)7-10-5-8-3-1-2-4-9(8)6-11(10)12(13)16/h1-6H,7H2.
The InChIKey is IHLGLVSDOIYDOZ-UHFFFAOYSA-N.
The canonical SMILES is C1C2=CC3=CC=CC=C3C=C2C(=O)C1(Br)Br.
The XLogP3-AA value is 4.5.
The topological polar surface area is 17.1?^2.