Cas no 61360-50-7 (1H-Indazole-3-carboxylic acid, 6-nitro-1-phenyl-)
61360-50-7 structure
Product Name:1H-Indazole-3-carboxylic acid, 6-nitro-1-phenyl-
CAS No:61360-50-7
MF:C14H9N3O4
MW:283.238962888718
CID:482424
PubChem ID:15175500
Update Time:2025-04-19
1H-Indazole-3-carboxylic acid, 6-nitro-1-phenyl- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Indazole-3-carboxylic acid, 6-nitro-1-phenyl-
- 6-nitro-1-phenylindazole-3-carboxylic acid
- DTXSID90569590
- 6-Nitro-1-phenyl-1H-indazole-3-carboxylic acid
- 61360-50-7
-
- Inchi： 1S/C14H9N3O4/c18-14(19)13-11-7-6-10(17(20)21)8-12(11)16(15-13)9-4-2-1-3-5-9/h1-8H,(H,18,19)
- InChI Key： XSBZUCFTWCQFGV-UHFFFAOYSA-N
- SMILES： OC(C1C2C=CC(=CC=2N(C2C=CC=CC=2)N=1)[N+](=O)[O-])=O
Computed Properties
- Exact Mass: 283.05937
- Monoisotopic Mass: 283.05930578g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 21
- Rotatable Bond Count: 2
- Complexity: 419
- 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: 2.9
- Topological Polar Surface Area: 101?2
Experimental Properties
- PSA: 98.26
1H-Indazole-3-carboxylic acid, 6-nitro-1-phenyl- Related Literature
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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