Cas no 404827-82-3 (4-chloro-6-methyl-2-[2-(trifluoromethyl)phenyl]pyrimidine)
![4-chloro-6-methyl-2-[2-(trifluoromethyl)phenyl]pyrimidine structure](https://ossimg.kuujia.com/scimg/405000/404827-82-3x500.png)
404827-82-3 structure
Product Name:4-chloro-6-methyl-2-[2-(trifluoromethyl)phenyl]pyrimidine
CAS No:404827-82-3
MF:C12H8ClF3N2
MW:272.653532028198
CID:2143886
PubChem ID:21939271
Update Time:2025-04-21
4-chloro-6-methyl-2-[2-(trifluoromethyl)phenyl]pyrimidine Chemical and Physical Properties
Names and Identifiers
-
- 4-chloro-6-methyl-2-[2-(trifluoromethyl)phenyl]pyrimidine
- 4-chloro-6-methyl-2-(2-trifluoromethyl-phenyl)-pyrimidine
- SCHEMBL786243
- DB-305807
- DTXSID701197819
- 404827-82-3
- 4-Chloro-6-methyl-2-(2-trifluoromethyl-phenyl)- pyrimidine
-
- Inchi： 1S/C12H8ClF3N2/c1-7-6-10(13)18-11(17-7)8-4-2-3-5-9(8)12(14,15)16/h2-6H,1H3
- InChI Key： VCWQCYKENKXYPV-UHFFFAOYSA-N
- SMILES： ClC1C=C(C)N=C(C2C=CC=CC=2C(F)(F)F)N=1
Computed Properties
- Exact Mass: 272.0328104Da
- Monoisotopic Mass: 272.0328104Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 18
- Rotatable Bond Count: 1
- Complexity: 285
- 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: 4.1
- Topological Polar Surface Area: 25.8?2
4-chloro-6-methyl-2-[2-(trifluoromethyl)phenyl]pyrimidine Related Literature
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Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
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Priyambada Nayak,Tanmaya Badapanda,Anil Kumar Singh,Simanchalo Panigrahi RSC Adv., 2017,7, 16319-16331
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Kui Wu,Zhihua Yang,Shilie Pan Dalton Trans., 2015,44, 19856-19864
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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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Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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