CAS
91532-33-1 Purity
96%
91532-33-1 Purity
96%
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Specification
The molecular formula is C10H3Cl2N3O2.
It was created on December 3, 2007.
The IUPAC Name is 4,8-dichloro-6-nitroquinoline-3-carbonitrile.
The InChIKey is MPJQECCTXQJBOS-UHFFFAOYSA-N.
The Canonical SMILES is C1=C(C=C(C2=NC=C(C(=C21)Cl)C#N)Cl)[N+](=O)[O-].
The molecular weight is 268.05 g/mol.
The XLogP3-AA value is 3.
It has 4 hydrogen bond acceptor counts.
The topological polar surface area is 82.5?2.
Yes, it is the canonicalized compound.