CAS
1001419-35-7 Purity
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1001419-35-7 Purity
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The molecular formula is C8H5BrFN.
The molecular weight is 214.03 g/mol.
The IUPAC name is 7-bromo-4-fluoro-1H-indole.
The InChI is InChI=1S/C8H5BrFN/c9-6-1-2-7(10)5-3-4-11-8(5)6/h1-4,11H.
The InChIKey is PRXUTIXCOBFMMM-UHFFFAOYSA-N.
The canonical SMILES is C1=CC(=C2C(=C1F)C=CN2)Br.
The XLogP3-AA value is 2.8.
It has 1 hydrogen bond donor count.
It has 1 hydrogen bond acceptor count.
The topological polar surface area is 15.8Ų.