113170-72-2 Purity
96%
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Specification
The molecular formula is C10H8BrNO2.
The molecular weight is 254.08 g/mol.
The IUPAC name is 1-(5-bromo-3-hydroxyindol-1-yl)ethanone.
The InChI is InChI=1S/C10H8BrNO2/c1-6(13)12-5-10(14)8-4-7(11)2-3-9(8)12/h2-5,14H,1H3.
The InChIKey is WOLVOYIZHIXSSE-UHFFFAOYSA-N.
The canonical SMILES is CC(=O)N1C=C(C2=C1C=CC(=C2)Br)O.
The CAS number is 114165-30-9.
The XLogP3-AA value is 2.2.
N-acetyl-5-bromo-3-hydroxyindole has 1 hydrogen bond donor count.
N-acetyl-5-bromo-3-hydroxyindole has 2 hydrogen bond acceptor count.