Cas no 827-51-0 (Acetonitrile, (nitrosophenylamino)-)
827-51-0 structure
Product Name:Acetonitrile, (nitrosophenylamino)-
CAS No:827-51-0
MF:C8H7N3O
MW:161.160681009293
CID:684158
PubChem ID:71417432
Update Time:2025-04-19
Acetonitrile, (nitrosophenylamino)- Chemical and Physical Properties
Names and Identifiers
-
- Acetonitrile, (nitrosophenylamino)-
- N-(cyanomethyl)-N-phenylnitrous amide
- 827-51-0
- DTXSID10836771
-
- Inchi： 1S/C8H7N3O/c9-6-7-11(10-12)8-4-2-1-3-5-8/h1-5H,7H2
- InChI Key： HQMJFKVILSRUNZ-UHFFFAOYSA-N
- SMILES： O=NN(CC#N)C1C=CC=CC=1
Computed Properties
- Exact Mass: 161.058911855g/mol
- Monoisotopic Mass: 161.058911855g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 12
- Rotatable Bond Count: 2
- Complexity: 190
- 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: 1.5
- Topological Polar Surface Area: 56.5?2
Acetonitrile, (nitrosophenylamino)- Related Literature
-
Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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Jing Chen,Yu Shao,Danzhen Li J. Mater. Chem. A, 2017,5, 937-941
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