Cas no 927679-36-5 (3-((2,6-dichloropyrimidin-4-yl)methyl)benzonitrile)
927679-36-5 structure
Product Name:3-((2,6-dichloropyrimidin-4-yl)methyl)benzonitrile
CAS No:927679-36-5
MF:C12H7Cl2N3
MW:264.110080003738
CID:2105485
Update Time:2023-11-18
3-((2,6-dichloropyrimidin-4-yl)methyl)benzonitrile Chemical and Physical Properties
Names and Identifiers
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- 3-((2,6-dichloropyrimidin-4-yl)methyl)benzonitrile
- CID 87861323
- Benzonitrile, 3-[(2,6-dichloro-4-pyrimidinyl)methyl]-
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- Inchi： 1S/C12H7Cl2N3/c13-11-6-10(16-12(14)17-11)5-8-2-1-3-9(4-8)7-15/h1-4,6H,5H2
- InChI Key： GUDAZJYCCCLQRN-UHFFFAOYSA-N
- SMILES： ClC1=CC(CC2C=CC=C(C#N)C=2)=NC(=N1)Cl
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 17
- Rotatable Bond Count: 2
- Complexity: 301
- Topological Polar Surface Area: 49.6
3-((2,6-dichloropyrimidin-4-yl)methyl)benzonitrile Related Literature
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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Pavel Karásek,Jakub Grym,Michal Roth,Josef Planeta,Franti?ek Foret Lab Chip, 2015,15, 311-318
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Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
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