Cas no 937793-24-3 (2-[[(5-Bromo-2-chloro-4-pyrimidinyl)oxy]methyl]Benzonitrile)
![2-[[(5-Bromo-2-chloro-4-pyrimidinyl)oxy]methyl]Benzonitrile structure](https://ossimg.kuujia.com/scimg/938000/937793-24-3x500.png)
937793-24-3 structure
Product Name:2-[[(5-Bromo-2-chloro-4-pyrimidinyl)oxy]methyl]Benzonitrile
CAS No:937793-24-3
MF:C12H7BrClN3O
MW:324.560480356216
CID:2133986
Update Time:2023-08-04
2-[[(5-Bromo-2-chloro-4-pyrimidinyl)oxy]methyl]Benzonitrile Chemical and Physical Properties
Names and Identifiers
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- 2-[[(5-bromo-2-chloro-4-pyrimidinyl)oxy]methyl]Benzonitrile
- 2-[[(5-Bromo-2-chloro-4-pyrimidinyl)oxy]methyl]Benzonitrile
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- Inchi： 1S/C12H7BrClN3O/c13-10-6-16-12(14)17-11(10)18-7-9-4-2-1-3-8(9)5-15/h1-4,6H,7H2
- InChI Key： CMGBVXCFVXOTFV-UHFFFAOYSA-N
- SMILES： BrC1=CN=C(N=C1OCC1C=CC=CC=1C#N)Cl
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 18
- Rotatable Bond Count: 3
- Complexity: 322
- Topological Polar Surface Area: 58.8
2-[[(5-Bromo-2-chloro-4-pyrimidinyl)oxy]methyl]Benzonitrile Related Literature
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Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
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Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
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Mark D. Allendorf,Alauddin Ahmed,Tom Autrey,Jeffrey Camp,Eun Seon Cho,Maciej Haranczyk,Abhi Karkamkar,Di-Jia Liu,Katie R. Meihaus,Iffat H. Nayyar,Roman Nazarov,Donald J. Siegel,Vitalie Stavila,Jeffrey J. Urban,Srimukh Prasad Veccham,Brandon C. Wood Energy Environ. Sci., 2018,11, 2784-2812
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P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
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