Cas no 651315-70-7 (Pyrimidine, 4-chloro-5,6-diphenyl-2-(trifluoromethyl)-)
651315-70-7 structure
Product Name:Pyrimidine, 4-chloro-5,6-diphenyl-2-(trifluoromethyl)-
CAS No:651315-70-7
MF:C17H10ClF3N2
MW:334.722913265228
CID:405998
PubChem ID:10404680
Update Time:2025-04-19
Pyrimidine, 4-chloro-5,6-diphenyl-2-(trifluoromethyl)- Chemical and Physical Properties
Names and Identifiers
-
- Pyrimidine, 4-chloro-5,6-diphenyl-2-(trifluoromethyl)-
- 4-chloro-5,6-diphenyl-2-(trifluoromethyl)pyrimidine
- SCHEMBL1573250
- DTXSID00439417
- 651315-70-7
-
- Inchi： 1S/C17H10ClF3N2/c18-15-13(11-7-3-1-4-8-11)14(12-9-5-2-6-10-12)22-16(23-15)17(19,20)21/h1-10H
- InChI Key： CJMBUOHMRKVLLZ-UHFFFAOYSA-N
- SMILES： ClC1=C(C2C=CC=CC=2)C(C2C=CC=CC=2)=NC(C(F)(F)F)=N1
Computed Properties
- Exact Mass: 334.0486
- Monoisotopic Mass: 334.0484605g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 23
- Rotatable Bond Count: 2
- Complexity: 379
- 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: 5.4
- Topological Polar Surface Area: 25.8?2
Experimental Properties
- PSA: 25.78
Pyrimidine, 4-chloro-5,6-diphenyl-2-(trifluoromethyl)- Related Literature
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Luke L. Lairson,Warren W. Wakarchuk Chem. Commun., 2007, 365-367
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Yang Chen,Di Zhou,Zheyi Meng,Jin Zhai Chem. Commun., 2016,52, 10020-10023
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Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
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Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
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Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
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