Cas no 99429-16-0 (Pyrimidine,5-chloro-2-fluoro-4-methyl-)
99429-16-0 structure
Product Name:Pyrimidine,5-chloro-2-fluoro-4-methyl-
CAS No:99429-16-0
MF:C5H4ClFN2
MW:146.55006313324
CID:797120
PubChem ID:21667405
Update Time:2025-04-19
Pyrimidine,5-chloro-2-fluoro-4-methyl- Chemical and Physical Properties
Names and Identifiers
-
- Pyrimidine,5-chloro-2-fluoro-4-methyl-
- 5-chloro-2-fluoro-4-methylPyrimidine
- Pyrimidine, 5-chloro-2-fluoro-4-methyl- (9CI)
- FT-0746837
- 99429-16-0
- SCHEMBL10768918
-
- Inchi： 1S/C5H4ClFN2/c1-3-4(6)2-8-5(7)9-3/h2H,1H3
- InChI Key： GSFHLLCYYCQJSO-UHFFFAOYSA-N
- SMILES： ClC1=CN=C(N=C1C)F
Computed Properties
- Exact Mass: 146.0047040g/mol
- Monoisotopic Mass: 146.0047040g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 9
- Rotatable Bond Count: 0
- Complexity: 101
- 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: 25.8?2
Pyrimidine,5-chloro-2-fluoro-4-methyl- Related Literature
-
Ni-Na Sun,Fengli Qu,Xiaobing Zhang,Shufang Zhang,Jinmao You Analyst, 2015,140, 1827-1831
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Eunice Y.-L. Hui,Bhimsen Rout,Yaw Sing Tan,Kok-Ping Chan,Charles W. Johannes Org. Biomol. Chem., 2018,16, 389-392
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Siquan Zhang,Shengyao Wang,Liping Guo,Hao Chen,Bien Tan,Shangbin Jin J. Mater. Chem. C, 2020,8, 192-200
-
Govind Reddy Mol. Syst. Des. Eng., 2021,6, 779-789
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