69321-60-4 Purity
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Specification
The molecular formula is C9H4BrN3S.
Some synonyms include 5-bromo-6-isothiocyanatequinoxaline, 134892-46-9, and 5-BROMO-6-ISOTHIOCYANATE QUINOXALINE.
The molecular weight is 266.12 g/mol.
It was created on September 15, 2005.
The IUPAC name is 5-bromo-6-isothiocyanatoquinoxaline.
The InChI is InChI=1S/C9H4BrN3S/c10-8-6(13-5-14)1-2-7-9(8)12-4-3-11-7/h1-4H.
The InChIKey is CRNMXQMOFAYYEX-UHFFFAOYSA-N.
The canonical SMILES is C1=CC2=NC=CN=C2C(=C1N=C=S)Br.
The CAS number is 134892-46-9.
The topological polar surface area is 70.2Ų.