CAS
90725-68-1 Purity
96%
90725-68-1 Purity
96%
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Specification
The molecular formula is C8H4BrClN2.
The molecular weight is 243.49 g/mol.
The IUPAC name is 5-bromo-8-chloro-1,7-naphthyridine.
The InChI code is InChI=1S/C8H4BrClN2/c9-6-4-12-8(10)7-5(6)2-1-3-11-7/h1-4H.
The InChIKey is GEVCHQPTJOFDSA-UHFFFAOYSA-N.
The Canonical SMILES is C1=CC2=C(C(=NC=C2Br)Cl)N=C1.
The CAS number is 909649-06-5.
The XLogP3-AA value is 2.8.
Yes, it is a canonicalized compound.