Cas no 467451-64-5 (3-(2-nitroethenyl)-1H-Indole-5-carbonitrile)
467451-64-5 structure
Product Name:3-(2-nitroethenyl)-1H-Indole-5-carbonitrile
CAS No:467451-64-5
MF:C11H7N3O2
MW:213.192181825638
CID:930513
PubChem ID:21071480
Update Time:2025-04-19
3-(2-nitroethenyl)-1H-Indole-5-carbonitrile Chemical and Physical Properties
Names and Identifiers
-
- 3-(2-nitroethenyl)-1H-Indole-5-carbonitrile
- 5-CYANO-3-(2-NITROVINYL)INDOLE
- AG-F-60089
- CTK4I9558
- SureCN2536619
- SCHEMBL2536616
- 1452838-22-0
- C-8950
- 467451-64-5
- 3-[(1E)-2-Nitroethenyl]-1H-indole-5-carbonitrile
-
- Inchi： 1S/C11H7N3O2/c12-6-8-1-2-11-10(5-8)9(7-13-11)3-4-14(15)16/h1-5,7,13H/b4-3+
- InChI Key： CQDDYYRKWJNSCZ-ONEGZZNKSA-N
- SMILES： [O-][N+](/C=C/C1=CNC2C=CC(C#N)=CC=21)=O
Computed Properties
- Exact Mass: 213.05400
- Monoisotopic Mass: 213.053826475g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 16
- Rotatable Bond Count: 1
- Complexity: 352
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2
- Topological Polar Surface Area: 85.4?2
Experimental Properties
- PSA: 85.40000
- LogP: 2.81018
3-(2-nitroethenyl)-1H-Indole-5-carbonitrile Related Literature
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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
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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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Xiaotong Feng,Lei Bian,Jie Ma,Lei Zhou,Xiayan Wang,Guangsheng Guo,Qiaosheng Pu Chem. Commun., 2019,55, 3963-3966
-
Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
-
Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
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