Cas no 916737-84-3 (2-Benzofurancarbonitrile, 5-amino-)
916737-84-3 structure
Product Name:2-Benzofurancarbonitrile, 5-amino-
CAS No:916737-84-3
MF:C9H6N2O
MW:158.15674161911
CID:996835
PubChem ID:45122650
Update Time:2025-04-20
2-Benzofurancarbonitrile, 5-amino- Chemical and Physical Properties
Names and Identifiers
-
- 2-Benzofurancarbonitrile, 5-amino-
- 2-Benzofurancarbonitrile,5-amino-
- 916737-84-3
- 5-aminobenzofuran-2-carbonitrile
- SCHEMBL3999399
- 5-amino-2-cyanobenzofuran
- UCCXRMZSRHGTSP-UHFFFAOYSA-N
- DB-269698
- 2-Benzofurancarbonitrile, 5-amino-
-
- Inchi： 1S/C9H6N2O/c10-5-8-4-6-3-7(11)1-2-9(6)12-8/h1-4H,11H2
- InChI Key： UCCXRMZSRHGTSP-UHFFFAOYSA-N
- SMILES： O1C(C#N)=CC2C=C(C=CC1=2)N
Computed Properties
- Exact Mass: 158.048012819g/mol
- Monoisotopic Mass: 158.048012819g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 0
- Complexity: 220
- 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: 63?2
2-Benzofurancarbonitrile, 5-amino- Related Literature
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Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Xiaotong Feng,Lei Bian,Jie Ma,Lei Zhou,Xiayan Wang,Guangsheng Guo,Qiaosheng Pu Chem. Commun., 2019,55, 3963-3966
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Dan Yang,Yanping Zhou,Xianhong Rui,Jixin Zhu,Ziyang Lu,Eileen Fong,Qingyu Yan RSC Adv., 2013,3, 14960-14962
916737-84-3 (2-Benzofurancarbonitrile, 5-amino-) Related Products
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