Cas no 62642-77-7 (1H-Indazole, 1-ethenyl-6-nitro-)
62642-77-7 structure
Product Name:1H-Indazole, 1-ethenyl-6-nitro-
CAS No:62642-77-7
MF:C9H7N3O2
MW:189.170781373978
CID:436756
PubChem ID:71384253
Update Time:2025-04-19
1H-Indazole, 1-ethenyl-6-nitro- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Indazole, 1-ethenyl-6-nitro-
- 1-ethenyl-6-nitroindazole
- 62642-77-7
- DTXSID80806522
- 1-Ethenyl-6-nitro-1H-indazole
-
- Inchi： 1S/C9H7N3O2/c1-2-11-9-5-8(12(13)14)4-3-7(9)6-10-11/h2-6H,1H2
- InChI Key： STSOSXYAANVCJT-UHFFFAOYSA-N
- SMILES： [O-][N+](C1C=CC2C=NN(C=C)C=2C=1)=O
Computed Properties
- Exact Mass: 189.05391
- Monoisotopic Mass: 189.053826475g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 1
- Complexity: 251
- 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: 2.5
- Topological Polar Surface Area: 63.6?2
Experimental Properties
- PSA: 60.96
1H-Indazole, 1-ethenyl-6-nitro- Related Literature
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Karl Crowley,Eimer O'Malley,Aoife Morrin,Malcolm R. Smyth,Anthony J. Killard Analyst, 2008,133, 391-399
-
Jialiang Yuan,Ran Dong,Yuan Li,Yang Liu,Zhuo Zheng,Yuxia Liu,Yan Sun,Benhe Zhong,Zhenguo Wu,Xiaodong Guo Chem. Commun., 2021,57, 13004-13007
-
Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
-
Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
-
Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
62642-77-7 (1H-Indazole, 1-ethenyl-6-nitro-) Related Products
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