Cas no 827342-90-5 (1H-Pyrrole-2-carbonitrile, 5-chloro-)
827342-90-5 structure
Product Name:1H-Pyrrole-2-carbonitrile, 5-chloro-
CAS No:827342-90-5
MF:C5H3ClN2
MW:126.543719530106
CID:684367
PubChem ID:11332467
Update Time:2025-04-19
1H-Pyrrole-2-carbonitrile, 5-chloro- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Pyrrole-2-carbonitrile, 5-chloro-
- 5-chloro-1H-pyrrole-2-carbonitrile
- DTXSID10462539
- SCHEMBL8822902
- InChI=1/C5H3ClN2/c6-5-2-1-4(3-7)8-5/h1-2,8H
- IUTIGODGLLFLGH-UHFFFAOYSA-
- 827342-90-5
-
- Inchi: 1S/C5H3ClN2/c6-5-2-1-4(3-7)8-5/h1-2,8H
- InChI Key: IUTIGODGLLFLGH-UHFFFAOYSA-N
- SMILES: ClC1=CC=C(C#N)N1
Computed Properties
- Exact Mass: 125.9984758g/mol
- Monoisotopic Mass: 125.9984758g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 8
- Rotatable Bond Count: 0
- Complexity: 126
- 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: 1.7
- Topological Polar Surface Area: 39.6?2
1H-Pyrrole-2-carbonitrile, 5-chloro- Related Literature
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
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