Cas no 820231-70-7 (1,3-Benzenedicarbonitrile, 4-(2-pyridinyl)-)
820231-70-7 structure
Product Name:1,3-Benzenedicarbonitrile, 4-(2-pyridinyl)-
CAS No:820231-70-7
MF:C13H7N3
MW:205.214781999588
CID:700906
PubChem ID:70866429
Update Time:2025-04-19
1,3-Benzenedicarbonitrile, 4-(2-pyridinyl)- Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Benzenedicarbonitrile, 4-(2-pyridinyl)-
- 4-pyridin-2-ylbenzene-1,3-dicarbonitrile
- DTXSID30744061
- SCHEMBL13261822
- 4-(Pyridin-2-yl)benzene-1,3-dicarbonitrile
- 820231-70-7
-
- Inchi： 1S/C13H7N3/c14-8-10-4-5-12(11(7-10)9-15)13-3-1-2-6-16-13/h1-7H
- InChI Key： NWEPOAXECOBHNC-UHFFFAOYSA-N
- SMILES： N1C=CC=CC=1C1C=CC(C#N)=CC=1C#N
Computed Properties
- Exact Mass: 205.063997236g/mol
- Monoisotopic Mass: 205.063997236g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 16
- Rotatable Bond Count: 1
- Complexity: 332
- 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: 2
- Topological Polar Surface Area: 60.5?2
1,3-Benzenedicarbonitrile, 4-(2-pyridinyl)- Related Literature
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
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Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
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5. An autonomous self-optimizing flow machine for the synthesis of pyridine–oxazoline (PyOX) ligands?Eric Wimmer,Daniel Cortés-Borda,Solène Brochard,Elvina Barré,Charlotte Truchet,Fran?ois-Xavier Felpin React. Chem. Eng., 2019,4, 1608-1615
820231-70-7 (1,3-Benzenedicarbonitrile, 4-(2-pyridinyl)-) Related Products
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