Cas no 659729-15-4 (Pyrimidine, 2-chloro-4-[4-(trifluoromethyl)phenyl]-)
![Pyrimidine, 2-chloro-4-[4-(trifluoromethyl)phenyl]- structure](https://ossimg.kuujia.com/scimg/660000/659729-15-4x500.png)
659729-15-4 structure
Product Name:Pyrimidine, 2-chloro-4-[4-(trifluoromethyl)phenyl]-
CAS No:659729-15-4
MF:C11H6ClF3N2
MW:258.626951694489
CID:1694455
PubChem ID:21865276
Update Time:2025-04-21
Pyrimidine, 2-chloro-4-[4-(trifluoromethyl)phenyl]- Chemical and Physical Properties
Names and Identifiers
-
- Pyrimidine, 2-chloro-4-[4-(trifluoromethyl)phenyl]-
- 2-Chloro-4-(4-trifluoromethyl-phenyl)-pyrimidine
- AKOS015939824
- 659729-15-4
- 2-chloro-4-(4-(trifluoromethyl)phenyl)pyrimidine
- SCHEMBL443863
- DB-423181
- 2-Chloro-4-[4-(trifluoromethyl)phenyl]pyrimidine
- 2-Chloro-4-(4-trifluoromethylphenyl)pyrimidine
-
- Inchi： 1S/C11H6ClF3N2/c12-10-16-6-5-9(17-10)7-1-3-8(4-2-7)11(13,14)15/h1-6H
- InChI Key： XXPQFCGLDSNFER-UHFFFAOYSA-N
- SMILES： ClC1=NC=CC(C2C=CC(C(F)(F)F)=CC=2)=N1
Computed Properties
- Exact Mass: 258.01728
- Monoisotopic Mass: 258.0171604g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 17
- Rotatable Bond Count: 1
- Complexity: 252
- 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: 3.7
- Topological Polar Surface Area: 25.8?2
Experimental Properties
- PSA: 25.78
Pyrimidine, 2-chloro-4-[4-(trifluoromethyl)phenyl]- Related Literature
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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Daniel Messmer,Stefan Salentinig,Jakob Heier Nanoscale, 2019,11, 6929-6938
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