Cas no 93485-73-5 (1,2-Benzenedicarbonitrile, 4-(3-pyridinyloxy)-)
93485-73-5 structure
Product Name:1,2-Benzenedicarbonitrile, 4-(3-pyridinyloxy)-
CAS No:93485-73-5
MF:C13H7N3O
MW:221.214182138443
CID:752688
PubChem ID:882273
Update Time:2025-04-19
1,2-Benzenedicarbonitrile, 4-(3-pyridinyloxy)- Chemical and Physical Properties
Names and Identifiers
-
- 1,2-Benzenedicarbonitrile, 4-(3-pyridinyloxy)-
- 4-pyridin-3-yloxybenzene-1,2-dicarbonitrile
- MLS000110377
- SMR000106307
- 4-(3-pyridyloxy)phthalonitrile
- AKOS000604942
- AK-918/13010113
- CHEMBL1728910
- PLUZIFDYUWBQSQ-UHFFFAOYSA-N
- Q27166072
- DTXSID80358233
- HMS2370J15
- 4-(Pyridin-3-yloxy)-phthalonitrile
- CHEBI:94270
- SCHEMBL522790
- BDBM50365726
- 4-(3-pyridinyloxy)phthalonitrile
- 93485-73-5
- 4-(3-pyridinyloxy)benzene-1,2-dicarbonitrile
- 2-CYANO-4-(3-PYRIDYLOXY)PHENYL CYANIDE
-
- Inchi： 1S/C13H7N3O/c14-7-10-3-4-12(6-11(10)8-15)17-13-2-1-5-16-9-13/h1-6,9H
- InChI Key： PLUZIFDYUWBQSQ-UHFFFAOYSA-N
- SMILES： O(C1C=NC=CC=1)C1C=CC(C#N)=C(C#N)C=1
Computed Properties
- Exact Mass: 221.058911855g/mol
- Monoisotopic Mass: 221.058911855g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 17
- Rotatable Bond Count: 2
- Complexity: 350
- 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: 1.8
- Topological Polar Surface Area: 69.7?2
1,2-Benzenedicarbonitrile, 4-(3-pyridinyloxy)- Related Literature
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José M. Rivera,Mariana Martín-Hidalgo,Jean C. Rivera-Ríos Org. Biomol. Chem., 2012,10, 7562-7565
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Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
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Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
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Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
93485-73-5 (1,2-Benzenedicarbonitrile, 4-(3-pyridinyloxy)-) Related Products
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