CAS
918510-54-0 Purity
96%
918510-54-0 Purity
96%
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Specification
The molecular formula is C7H4ClN3O2.
It was created on February 29, 2008.
The molecular weight is 197.58 g/mol.
The InChI is InChI=1S/C7H4ClN3O2/c8-4-1-2-9-7-6(4)5(3-10-7)11(12)13/h1-3H,(H,9,10).
The InChIKey is KCCXAUDAHDKANR-UHFFFAOYSA-N.
The Canonical SMILES is C1=CN=C2C(=C1Cl)C(=CN2)[N+](=O)[O-].
It has 1 hydrogen bond donor count.
The topological polar surface area is 74.5 Ų.
There are 13 heavy atoms present.
Yes, the compound is canonicalized.