Cas no 885518-65-0 (6-Bromo-4-methoxycarbonyl-1H-indazole-3-carboxylic acid)
885518-65-0 structure
Product Name:6-Bromo-4-methoxycarbonyl-1H-indazole-3-carboxylic acid
CAS No:885518-65-0
MF:C10H7BrN2O4
MW:299.077581644058
CID:2130872
PubChem ID:24728080
Update Time:2025-04-21
6-Bromo-4-methoxycarbonyl-1H-indazole-3-carboxylic acid Chemical and Physical Properties
Names and Identifiers
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- 6-Bromo-4-methoxycarbonyl-1H-indazole-3-carboxylic acid
- 885518-65-0
- 6-BROMO-4-(METHOXYCARBONYL)-1H-INDAZOLE-3-CARBOXYLIC ACID
- DB-369170
-
- Inchi： 1S/C10H7BrN2O4/c1-17-10(16)5-2-4(11)3-6-7(5)8(9(14)15)13-12-6/h2-3H,1H3,(H,12,13)(H,14,15)
- InChI Key： MDBOKBAXVCRVLH-UHFFFAOYSA-N
- SMILES： BrC1C=C(C(=O)OC)C2C(C(=O)O)=NNC=2C=1
Computed Properties
- Exact Mass: 297.95892Da
- Monoisotopic Mass: 297.95892Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 17
- Rotatable Bond Count: 3
- Complexity: 338
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2
- Topological Polar Surface Area: 92.3?2
6-Bromo-4-methoxycarbonyl-1H-indazole-3-carboxylic acid Related Literature
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Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
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Helga Garcia,Rui Ferreira,Marija Petkovic,Jamie L. Ferguson,Maria C. Leit?o,H. Q. Nimal Gunaratne,Luís Paulo N. Rebelo Green Chem., 2010,12, 367-369
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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