Cas no 743456-60-2 (1H-Pyrazole-4-carboxylic acid, 1-methyl-3-(trifluoromethyl)-, anhydride)
743456-60-2 structure
Product Name:1H-Pyrazole-4-carboxylic acid, 1-methyl-3-(trifluoromethyl)-, anhydride
CAS No:743456-60-2
MF:C12H8F6N4O3
MW:370.207343101501
CID:1767510
PubChem ID:58610072
Update Time:2025-04-21
1H-Pyrazole-4-carboxylic acid, 1-methyl-3-(trifluoromethyl)-, anhydride Chemical and Physical Properties
Names and Identifiers
-
- 1H-Pyrazole-4-carboxylic acid, 1-methyl-3-(trifluoromethyl)-, anhydride
- [1-methyl-3-(trifluoromethyl)pyrazole-4-carbonyl] 1-methyl-3-(trifluoromethyl)pyrazole-4-carboxylate
- 743456-60-2
- DTXSID40729485
- 1-methyl-3-trifluoromethyl-1h-pyrazole-4-carboxylic acid-anhydride
- SCHEMBL1122502
- 1-Methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxylic anhydride
-
- Inchi： 1S/C12H8F6N4O3/c1-21-3-5(7(19-21)11(13,14)15)9(23)25-10(24)6-4-22(2)20-8(6)12(16,17)18/h3-4H,1-2H3
- InChI Key： YLJMTLRJVDETGX-UHFFFAOYSA-N
- SMILES： FC(C1C(C(=O)OC(C2=CN(C)N=C2C(F)(F)F)=O)=CN(C)N=1)(F)F
Computed Properties
- Exact Mass: 370.05005910g/mol
- Monoisotopic Mass: 370.05005910g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 11
- Heavy Atom Count: 25
- Rotatable Bond Count: 4
- Complexity: 494
- 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: 1.7
- Topological Polar Surface Area: 79?2
1H-Pyrazole-4-carboxylic acid, 1-methyl-3-(trifluoromethyl)-, anhydride Related Literature
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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Xingqun Zheng,Lele Song,Xin Feng,Li Li,Zidong Wei J. Mater. Chem. A, 2020,8, 14145-14151
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