1224724-39-3 Purity
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The molecular formula is C6H3BrIN3.
The molecular weight is 323.92 g/mol.
The IUPAC name is 6-bromo-3-iodoimidazo[1,2-a]pyrazine.
The InChI code is InChI=1S/C6H3BrIN3/c7-4-3-11-5(8)1-10-6(11)2-9-4/h1-3H.
The InChIKey is QQRGSZAMEYFXCS-UHFFFAOYSA-N.
The canonical SMILES is C1=C(N2C=C(N=CC2=N1)Br)I.
The CAS number is 1245644-42-1.
The XLogP3-AA value is 2.4.
There are 0 hydrogen bond donor counts.
There are 2 hydrogen bond acceptor counts.
Reference: [1] Patent: WO2013/34048, 2013, A1, . Location in patent: Page/Page column 74; 75
Reference: [1]Patent: WO2013/34048,2013,A1 .Location in patent: Page/Page column 74; 75
Reference: [1]Patent: WO2013/34048,2013,A1 .Location in patent: Page/Page column 75
Reference: [1]Patent: WO2013/147711,2013,A1 .Location in patent: Page/Page column 121; 122
* For details of the synthesis route, please refer to the original source to ensure accuracy.