Cas no 921625-90-3 (Benzonitrile, 3-[[3-[(2-chloro-4-pyrimidinyl)oxy]phenoxy]methyl]-)
![Benzonitrile, 3-[[3-[(2-chloro-4-pyrimidinyl)oxy]phenoxy]methyl]- structure](https://ossimg.kuujia.com/scimg/922000/921625-90-3x500.png)
921625-90-3 structure
Product Name:Benzonitrile, 3-[[3-[(2-chloro-4-pyrimidinyl)oxy]phenoxy]methyl]-
CAS No:921625-90-3
MF:C18H12ClN3O2
MW:337.759782791138
CID:743697
PubChem ID:71422141
Update Time:2025-04-19
Benzonitrile, 3-[[3-[(2-chloro-4-pyrimidinyl)oxy]phenoxy]methyl]- Chemical and Physical Properties
Names and Identifiers
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- Benzonitrile, 3-[[3-[(2-chloro-4-pyrimidinyl)oxy]phenoxy]methyl]-
- 3-[[3-(2-chloropyrimidin-4-yl)oxyphenoxy]methyl]benzonitrile
- SCHEMBL3284334
- 3-({3-[(2-Chloropyrimidin-4-yl)oxy]phenoxy}methyl)benzonitrile
- DTXSID20841179
- 921625-90-3
-
- Inchi： 1S/C18H12ClN3O2/c19-18-21-8-7-17(22-18)24-16-6-2-5-15(10-16)23-12-14-4-1-3-13(9-14)11-20/h1-10H,12H2
- InChI Key： BIMGFOTYJWWXAV-UHFFFAOYSA-N
- SMILES： ClC1=NC=CC(=N1)OC1=CC=CC(=C1)OCC1C=CC=C(C#N)C=1
Computed Properties
- Exact Mass: 337.0618043g/mol
- Monoisotopic Mass: 337.0618043g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 24
- Rotatable Bond Count: 5
- Complexity: 441
- 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: 4.2
- Topological Polar Surface Area: 68?2
Benzonitrile, 3-[[3-[(2-chloro-4-pyrimidinyl)oxy]phenoxy]methyl]- Related Literature
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Xiang Liu,Qian Sun,A. B. Djuri?i?,Maohai Xie,Baohu Dai,Jinyao Tang,Charles Surya,Changzhong Liao,Kaimin Shih RSC Adv., 2015,5, 100783-100789
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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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Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
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Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
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