Cas no 404827-80-1 (4-chloro-5,6-dimethyl-2-(2-(trifluoromethyl)phenyl)pyrimidine)
404827-80-1 structure
Product Name:4-chloro-5,6-dimethyl-2-(2-(trifluoromethyl)phenyl)pyrimidine
CAS No:404827-80-1
MF:C13H10ClF3N2
MW:286.680112361908
CID:2143818
PubChem ID:21939153
Update Time:2025-04-21
4-chloro-5,6-dimethyl-2-(2-(trifluoromethyl)phenyl)pyrimidine Chemical and Physical Properties
Names and Identifiers
-
- 4-chloro-5,6-dimethyl-2-(2-(trifluoromethyl)phenyl)pyrimidine
- UKDMNTDBTUIKHI-UHFFFAOYSA-N
- AKOS005798516
- DTXSID701181141
- DB-305736
- 4-chloro-5,6-dimethyl-2-[2-(trifluoromethyl)phenyl]pyrimidine
- 404827-80-1
- SCHEMBL785914
-
- Inchi： 1S/C13H10ClF3N2/c1-7-8(2)18-12(19-11(7)14)9-5-3-4-6-10(9)13(15,16)17/h3-6H,1-2H3
- InChI Key： UKDMNTDBTUIKHI-UHFFFAOYSA-N
- SMILES： ClC1C(C)=C(C)N=C(C2C=CC=CC=2C(F)(F)F)N=1
Computed Properties
- Exact Mass: 286.0484605Da
- Monoisotopic Mass: 286.0484605Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 19
- Rotatable Bond Count: 1
- Complexity: 311
- 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: 4.5
- Topological Polar Surface Area: 25.8?2
4-chloro-5,6-dimethyl-2-(2-(trifluoromethyl)phenyl)pyrimidine Related Literature
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Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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Ravi Kumar Yadav,R. Govindaraj Phys. Chem. Chem. Phys., 2020,22, 26876-26886
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Jialiang Yuan,Ran Dong,Yuan Li,Yang Liu,Zhuo Zheng,Yuxia Liu,Yan Sun,Benhe Zhong,Zhenguo Wu,Xiaodong Guo Chem. Commun., 2021,57, 13004-13007
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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
404827-80-1 (4-chloro-5,6-dimethyl-2-(2-(trifluoromethyl)phenyl)pyrimidine) Related Products
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