50606-58-1 Purity
98%
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PubChem CID 610939
The chemical formula is C8H5BrN2.
The molecular weight is 209.04 g/mol.
The IUPAC name is 6-bromoquinoxaline.
The InChI key is NOYFLUFQGFNMRB-UHFFFAOYSA-N.
The canonical SMILES is C1=CC2=NC=CN=C2C=C1Br.
The CAS number is 50998-17-9.
The XLogP3 value is 2.2.
6-Bromoquinoxaline has 2 hydrogen bond acceptor count.
Yes, 6-Bromoquinoxaline is canonicalized according to PubChem.
Reference: [1] Organic Letters, 2017, vol. 19, # 11, p. 2809 - 2812
[2] Organic Letters, 2013, vol. 15, # 14, p. 3734 - 3737
Reference: [1] Journal of Organic Chemistry, 2014, vol. 79, # 11, p. 5351 - 5358
[2] Journal of the American Chemical Society, 2016, vol. 138, # 41, p. 13493 - 13496
[3] Organic Letters, 2017, vol. 19, # 11, p. 3033 - 3036
Reference: [1] Patent: US2005/256309, 2005, A1, . Location in patent: Page/Page column 35
* For details of the synthesis route, please refer to the original source to ensure accuracy.