Cas no 61893-86-5 (1H-Pyrrole-2-carbonitrile, 3-chloro-)
61893-86-5 structure
Product Name:1H-Pyrrole-2-carbonitrile, 3-chloro-
CAS No:61893-86-5
MF:C5H3ClN2
MW:126.543719530106
CID:463589
PubChem ID:23058034
Update Time:2025-04-19
1H-Pyrrole-2-carbonitrile, 3-chloro- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Pyrrole-2-carbonitrile, 3-chloro-
- 3-chloro-1H-pyrrole-2-carbonitrile
- DTXSID90630113
- AKOS006356501
- 61893-86-5
- SCHEMBL827234
-
- Inchi： 1S/C5H3ClN2/c6-4-1-2-8-5(4)3-7/h1-2,8H
- InChI Key： RUOXHINPFCSRIT-UHFFFAOYSA-N
- SMILES： ClC1C=CNC=1C#N
Computed Properties
- Exact Mass: 125.99859
- 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: 1.4
- Topological Polar Surface Area: 39.6?2
Experimental Properties
- PSA: 39.58
1H-Pyrrole-2-carbonitrile, 3-chloro- Related Literature
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
-
Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
-
Eunju Nam,Jiyeon Han,Sunhee Choi,Mi Hee Lim Chem. Commun., 2021,57, 7637-7640
-
Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
-
Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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