CAS
117-39-5 Purity
95%+
117-39-5 Purity
95%+
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Specification
The molecular formula is C8H5BrClNO.
The molecular weight is 246.49 g/mol.
The IUPAC name is 5-bromo-4-chloro-1H-indol-3-ol.
The InChI is InChI=1S/C8H5BrClNO/c9-4-1-2-5-7(8(4)10)6(12)3-11-5/h1-3,11-12H.
The InChIKey is AXCKOXONHIRKQP-UHFFFAOYSA-N.
The canonical SMILES is C1=CC(=C(C2=C1NC=C2O)Cl)Br.
The XLogP3-AA value is 3.
It has 2 hydrogen bond donor counts.
It has 1 hydrogen bond acceptor count.
It has 0 rotatable bond count.