CAS
611-00-7 Purity
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611-00-7 Purity
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The molecular formula is C7H8BrN.
The molecular weight is 186.05 g/mol.
The IUPAC Name is 3-bromo-2,6-dimethylpyridine.
The structure is not provided in the reference.
The InChI is InChI=1S/C7H8BrN/c1-5-3-4-7(8)6(2)9-5/h3-4H,1-2H3.
The InChIKey is TUJVGHCSNXCAFE-UHFFFAOYSA-N.
The Canonical SMILES is CC1=NC(=C(C=C1)Br)C.
The CAS number is 3430-31-7.
The XLogP3-AA value is 2.3.
Yes, it is a canonical compound.