Cas no 174813-00-4 (Methanone, 5-pyrimidinyl[3-(trifluoromethyl)phenyl]-)
174813-00-4 structure
Product Name:Methanone, 5-pyrimidinyl[3-(trifluoromethyl)phenyl]-
CAS No:174813-00-4
MF:C12H7F3N2O
MW:252.191992998123
CID:1360906
PubChem ID:15264935
Update Time:2025-04-20
Methanone, 5-pyrimidinyl[3-(trifluoromethyl)phenyl]- Chemical and Physical Properties
Names and Identifiers
-
- Methanone, 5-pyrimidinyl[3-(trifluoromethyl)phenyl]-
- 174813-00-4
- AKOS011780337
- methanone,5-pyrimidinyl[3-(trifluoromethyl)phenyl]-
-
- Inchi: 1S/C12H7F3N2O/c13-12(14,15)10-3-1-2-8(4-10)11(18)9-5-16-7-17-6-9/h1-7H
- InChI Key: SEYMNHFHSNIESN-UHFFFAOYSA-N
- SMILES: FC(C1C=CC=C(C(C2=CN=CN=C2)=O)C=1)(F)F
Computed Properties
- Exact Mass: 252.05111
- Monoisotopic Mass: 252.05104734g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 18
- Rotatable Bond Count: 2
- Complexity: 300
- 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: 2.4
- Topological Polar Surface Area: 42.8?2
Experimental Properties
- PSA: 42.85
Methanone, 5-pyrimidinyl[3-(trifluoromethyl)phenyl]- Related Literature
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Xin Fu,Qing-rong Liang,Rong-guang Luo,Yan-shu Li,Xiao-ping Xiao,Lu-lu Yu,Wen-zhe Shan,Guang-qin Fan J. Mater. Chem. B, 2019,7, 3088-3099
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J. M. Granadino-Roldán,M. Fernández-Gómez,A. Navarro,T. Pe?a Ruiz,U. A. Jayasooriya Phys. Chem. Chem. Phys., 2004,6, 1133-1143
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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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Karl Crowley,Eimer O'Malley,Aoife Morrin,Malcolm R. Smyth,Anthony J. Killard Analyst, 2008,133, 391-399
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