CAS
929611-17-6 Purity
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929611-17-6 Purity
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Specification
The molecular formula is C7H9BrN2.
The molecular weight is 201.06 g/mol.
The IUPAC name is 6-bromo-4-ethylpyridin-3-amine.
The InChI is InChI=1S/C7H9BrN2/c1-2-5-3-7(8)10-4-6(5)9/h3-4H,2,9H2,1H3.
The InChIKey is XDKDXVQIBKWCDW-UHFFFAOYSA-N.
The Canonical SMILES is CCC1=CC(=NC=C1N)Br.
The CAS number is 929617-29-8.
The XLogP3-AA value is 2.
It has 1 hydrogen bond donor count.
Yes, the compound is canonicalized.