34824-58-3 Purity
95%
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The molecular formula is C7H7BrN2O.
It was created on February 29, 2008.
The molecular weight is 215.05 g/mol.
The IUPAC name is 7-bromo-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine.
The InChI code is InChI=1S/C7H7BrN2O/c8-5-3-6-7(10-4-5)9-1-2-11-6/h3-4H,1-2H2,(H,9,10).
The InChIKey is CYISPVTTZWJFEO-UHFFFAOYSA-N.
The canonical SMILES is C1COC2=C(N1)N=CC(=C2)Br.
The CAS number is 34950-82-8.
The XLogP3-AA value is 1.6.
Yes, it is a canonicalized compound.
Reference: [1] Patent: WO2018/30550, 2018, A1, . Location in patent: Paragraph 0596
Reference: [1] Patent: WO2012/75316, 2012, A2, . Location in patent: Page/Page column 55
Reference: [1]Patent: WO2018/30550,2018,A1 .Location in patent: Paragraph 0596
[2]Patent: EP2341052,2011,A1 .Location in patent: Page/Page column 40
[3]Acta Chemica Scandinavica (1947),1971,vol. 25,p. 3135 - 3143
[4]Patent: KR101576386,2015,B1 .Location in patent: Paragraph 0158-0160
Reference: [1]Patent: WO2009/74812,2009,A1 .Location in patent: Page/Page column 24
* For details of the synthesis route, please refer to the original source to ensure accuracy.