Cas no 90886-63-8 (7-nitro-1H-Indole-2-carboxamide)
90886-63-8 structure
Product Name:7-nitro-1H-Indole-2-carboxamide
CAS No:90886-63-8
MF:C9H7N3O3
MW:205.170181512833
CID:1121098
Update Time:2024-03-05
7-nitro-1H-Indole-2-carboxamide Chemical and Physical Properties
Names and Identifiers
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- 7-nitro-1H-Indole-2-carboxamide
- 1H-Indole-2-carboxamide, 7-nitro-
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- Inchi： 1S/C9H7N3O3/c10-9(13)6-4-5-2-1-3-7(12(14)15)8(5)11-6/h1-4,11H,(H2,10,13)
- InChI Key： CCEPGVQJFCNPIZ-UHFFFAOYSA-N
- SMILES： N1C2=C(C=CC=C2[N+]([O-])=O)C=C1C(N)=O
Computed Properties
- Exact Mass: 205.049
- Monoisotopic Mass: 205.049
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 1
- Complexity: 289
- 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
- Topological Polar Surface Area: 105A^2
Experimental Properties
- Density: 1.549±0.06 g/cm3(Predicted)
- Melting Point: 288-290 °C (decomp)(Solv: ethyl acetate (141-78-6))
- Boiling Point: 557.4±30.0 °C(Predicted)
- pka: 12.36±0.30(Predicted)
7-nitro-1H-Indole-2-carboxamide Related Literature
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Jing Chen,Yu Shao,Danzhen Li J. Mater. Chem. A, 2017,5, 937-941
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Richa Sardessai,Shobhana Krishnaswamy,Mysore S. Shashidhar CrystEngComm, 2012,14, 8010-8016
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Xin Fu,Qing-rong Liang,Rong-guang Luo,Yan-shu Li,Xiao-ping Xiao,Lu-lu Yu,Wen-zhe Shan,Guang-qin Fan J. Mater. Chem. B, 2019,7, 3088-3099
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Ying Li,Weirong Yao,Yunfei Xie,Renjun Pei RSC Adv., 2015,5, 98724-98729
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