CAS
866546-09-0 Purity
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866546-09-0 Purity
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The molecular formula is C8H4BrClO4.
The molecular weight is 279.47 g/mol.
The IUPAC name is 2-bromo-5-chloroterephthalic acid.
The InChI is InChI=1S/C8H4BrClO4/c9-5-1-4(8(13)14)6(10)2-3(5)7(11)12/h1-2H,(H,11,12)(H,13,14).
The InChIKey is BMIBLGHQDGAWJD-UHFFFAOYSA-N.
The canonical SMILES is C1=C(C(=CC(=C1Cl)C(=O)O)Br)C(=O)O.
The CAS number is 500550-60-7.
The XLogP3-AA value is 2.3.
It has 2 hydrogen bond donor counts.
It has 4 hydrogen bond acceptor counts.