CAS
1246471-29-3 Purity
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1246471-29-3 Purity
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The molecular formula is C10H10Br2O.
The molecular weight is 305.99 g/mol.
The IUPAC name is 2-bromo-1-(2-bromo-4,6-dimethylphenyl)ethanone.
The InChI is InChI=1S/C10H10Br2O/c1-6-3-7(2)10(8(12)4-6)9(13)5-11/h3-4H,5H2,1-2H3.
The InChIKey is XZTGWLXJXCOBJM-UHFFFAOYSA-N.
The canonical SMILES is CC1=CC(=C(C(=C1)Br)C(=O)CBr)C.
The CAS number is 1246471-30-6.
The XLogP3-AA value is 3.8.
It has 0 hydrogen bond donor counts.
It has 1 hydrogen bond acceptor count.