Cas no 400752-13-8 (3,4-Pyridinedicarbonitrile, 2-chloro-6-phenyl-)
400752-13-8 structure
Product Name:3,4-Pyridinedicarbonitrile, 2-chloro-6-phenyl-
CAS No:400752-13-8
MF:C13H6ClN3
MW:239.659841060638
CID:925254
PubChem ID:42647758
Update Time:2025-04-19
3,4-Pyridinedicarbonitrile, 2-chloro-6-phenyl- Chemical and Physical Properties
Names and Identifiers
-
- 3,4-Pyridinedicarbonitrile, 2-chloro-6-phenyl-
- JTUGHCXTOKNFET-UHFFFAOYSA-N
- 400752-13-8
- AKOS005606047
- 3,4-Pyridinedicarbonitrile,2-chloro-6-phenyl-
- 2-chloro-6-phenylpyridine-3,4-dicarbonitrile
- 2-CHLORO-3-CYANO-6-PHENYL-4-PYRIDYL CYANIDE
- STK694200
-
- Inchi： 1S/C13H6ClN3/c14-13-11(8-16)10(7-15)6-12(17-13)9-4-2-1-3-5-9/h1-6H
- InChI Key： JTUGHCXTOKNFET-UHFFFAOYSA-N
- SMILES： ClC1=C(C#N)C(C#N)=CC(C2C=CC=CC=2)=N1
Computed Properties
- Exact Mass: 239.0250249g/mol
- Monoisotopic Mass: 239.0250249g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 17
- Rotatable Bond Count: 1
- Complexity: 357
- 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: 2.9
- Topological Polar Surface Area: 60.5?2
3,4-Pyridinedicarbonitrile, 2-chloro-6-phenyl- Related Literature
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Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
-
Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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Brindha J.,Balamurali M. M.,Kaushik Chanda RSC Adv., 2019,9, 34720-34734
400752-13-8 (3,4-Pyridinedicarbonitrile, 2-chloro-6-phenyl-) Related Products
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