667-27-6 Purity
>97.0%(GC)
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The molecular formula is C13H15BrN2O2.
The molecular weight is 311.17 g/mol.
The compound was created on October 30, 2011.
The compound was last modified on December 2, 2023.
The IUPAC name is tert-butyl 5-bromo-3-methylindazole-1-carboxylate.
The InChI is InChI=1S/C13H15BrN2O2/c1-8-10-7-9(14)5-6-11(10)16(15-8)12(17)18-13(2,3)4/h5-7H,1-4H3.
The InChIKey is LPOXPRHHNYSYCQ-UHFFFAOYSA-N.
The canonical SMILES is CC1=NN(C2=C1C=C(C=C2)Br)C(=O)OC(C)(C)C.
The XLogP3-AA value is 3.9.
The hydrogen bond donor count is 0.
Reference: [1]Patent: US2008/153813,2008,A1 .Location in patent: Page/Page column 24
Reference: [1] Patent: US2008/242694, 2008, A1, . Location in patent: Page/Page column 41
Reference: [1] Patent: US2008/153813, 2008, A1, . Location in patent: Page/Page column 24
Reference: [1] Patent: WO2008/154241, 2008, A1,
Reference: [1]Current Patent Assignee: ABBVIE INC - US2005/101602, 2005, A1
Location in patent: Page/Page column 61
[2]Current Patent Assignee: ABBOTT LABORATORIES INC - US2005/137204, 2005, A1
Location in patent: Page/Page column 30
[3]Current Patent Assignee: ABBVIE INC - WO2006/65233, 2006, A1
Location in patent: Page/Page column 71-72
[4]Current Patent Assignee: ABBVIE INC - US2003/199511, 2003, A1
Location in patent: Page/Page column 61
Reference: [1]Patent: US2008/153813,2008,A1 .Location in patent: Page/Page column 24
* For details of the synthesis route, please refer to the original source to ensure accuracy.