35764-15-9 Purity
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The molecular formula is C6H3BrFNO2.
The molecular weight is 220.00 g/mol.
The IUPAC name is 4-bromo-1-fluoro-2-nitrobenzene.
The InChI is InChI=1S/C6H3BrFNO2/c7-4-1-2-5(8)6(3-4)9(10)11/h1-3H.
The InChIKey is UQEANKGXXSENNF-UHFFFAOYSA-N.
The canonical SMILES is C1=CC(=C(C=C1Br)[N+](=O)[O-])F.
The CAS number is 364-73-8.
The EC number is 639-340-5.
The Monoisotopic Mass is 218.93312 g/mol.
Yes, it is a canonicalized compound according to PubChem.
Reference: [1]Bulletin de la Classe des Sciences, Academie Royale de Belgique,vol. <5> 12,p. 804,815
Chemisches Zentralblatt,1927,vol. 98,p. 884
Reference: [1] European Journal of Organic Chemistry, 2006, # 13, p. 2956 - 2969
Reference: [1] Patent: WO2017/176960, 2017, A1,
Reference: [1] Tetrahedron Letters, 2002, vol. 43, # 41, p. 7303 - 7306
[2] Patent: WO2012/119046, 2012, A2,
[3] Patent: WO2017/176960, 2017, A1,
Reference: [1]Bulletin de la Classe des Sciences, Academie Royale de Belgique,vol. <5> 12,p. 810
Chemisches Zentralblatt,1927,vol. 98,p. 884
[2]Bulletin de la Classe des Sciences, Academie Royale de Belgique,vol. <5> 12,p. 804,815
Chemisches Zentralblatt,1927,vol. 98,p. 884
Reference: [1]Current Patent Assignee: PFIZER INC - WO2006/48761, 2006, A2
Location in patent: Page/Page column 32
* For details of the synthesis route, please refer to the original source to ensure accuracy.