Cas no 1383855-36-4 (1H-Indazole-6-carboxamide, 3-formyl-)
1383855-36-4 structure
Product Name:1H-Indazole-6-carboxamide, 3-formyl-
CAS No:1383855-36-4
MF:C9H7N3O2
MW:189.170781373978
CID:2123135
Update Time:2023-11-19
1H-Indazole-6-carboxamide, 3-formyl- Chemical and Physical Properties
Names and Identifiers
-
- 3-formyl-1H-indazole-6-carboxamide
- 1H-Indazole-6-carboxamide, 3-formyl-
- RRXHGBUVEZTOLV-UHFFFAOYSA-N
- CID 86759727
-
- Inchi： 1S/C9H7N3O2/c10-9(14)5-1-2-6-7(3-5)11-12-8(6)4-13/h1-4H,(H2,10,14)(H,11,12)
- InChI Key： RRXHGBUVEZTOLV-UHFFFAOYSA-N
- SMILES： O=C(C1C=CC2=C(C=O)NN=C2C=1)N
Computed Properties
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 2
- Complexity: 256
- Topological Polar Surface Area: 88.8
Experimental Properties
- Density: 1.507±0.06 g/cm3(Predicted)
- Boiling Point: 559.7±30.0 °C(Predicted)
- pka: 10.79±0.40(Predicted)
1H-Indazole-6-carboxamide, 3-formyl- Related Literature
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Shaun D. Wong,Edward I. Solomon Dalton Trans., 2014,43, 17567-17577
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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