CAS
953410-99-6 Purity
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953410-99-6 Purity
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Specification
The molecular formula is C13H9BrN2.
It was created on 2008-01-14 and modified on 2023-12-30.
The IUPAC Name is 5-bromo-2-phenyl-1H-pyrrolo[2,3-b]pyridine.
The InChIKey is QLKZJMXSXCDCCF-UHFFFAOYSA-N.
The Canonical SMILES is C1=CC=C(C=C1)C2=CC3=CC(=CN=C3N2)Br.
The molecular weight is 273.13 g/mol.
The CAS number is 953414-75-0.
The XLogP3-AA value is 3.7.
It has 1 hydrogen bond donor count.
Yes, the compound is canonicalized.