Cas no 914201-21-1 (4-(2-methylphenyl)-2-(trifluoromethyl)pyrimidine-5-carboxylic Acid)
914201-21-1 structure
Product Name:4-(2-methylphenyl)-2-(trifluoromethyl)pyrimidine-5-carboxylic Acid
CAS No:914201-21-1
MF:C13H9F3N2O2
MW:282.217973470688
CID:1968771
PubChem ID:22831560
Update Time:2025-04-21
4-(2-methylphenyl)-2-(trifluoromethyl)pyrimidine-5-carboxylic Acid Chemical and Physical Properties
Names and Identifiers
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- 4-(2-methylphenyl)-2-(trifluoromethyl)pyrimidine-5-carboxylic Acid
- 4-(O-TOLYL)-2-TRIFLUOROMETHYL-PYRIMIDINE-5-CARBOXYLIC ACID
- 914201-21-1
- DTXSID10628476
- 4-(o-tolyl)-2-trifluoromethylpyrimidine-5-carboxylic acid
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- Inchi： 1S/C13H9F3N2O2/c1-7-4-2-3-5-8(7)10-9(11(19)20)6-17-12(18-10)13(14,15)16/h2-6H,1H3,(H,19,20)
- InChI Key： WANUFXQMMWJEBT-UHFFFAOYSA-N
- SMILES： FC(C1=NC=C(C(=O)O)C(C2C=CC=CC=2C)=N1)(F)F
Computed Properties
- Exact Mass: 282.06161202Da
- Monoisotopic Mass: 282.06161202Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 20
- Rotatable Bond Count: 2
- Complexity: 362
- 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: 2.7
- Topological Polar Surface Area: 63.1?2
4-(2-methylphenyl)-2-(trifluoromethyl)pyrimidine-5-carboxylic Acid Related Literature
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
914201-21-1 (4-(2-methylphenyl)-2-(trifluoromethyl)pyrimidine-5-carboxylic Acid) Related Products
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