Cas no 13317-71-0 (Pyrimidine, 4-chloro-5-methyl-2-phenyl-)
13317-71-0 structure
Product Name:Pyrimidine, 4-chloro-5-methyl-2-phenyl-
CAS No:13317-71-0
MF:C11H9ClN2
MW:204.655561208725
CID:1232712
PubChem ID:14685657
Update Time:2025-04-20
Pyrimidine, 4-chloro-5-methyl-2-phenyl- Chemical and Physical Properties
Names and Identifiers
-
- Pyrimidine, 4-chloro-5-methyl-2-phenyl-
- 4-chloro-5-methyl-2-phenylpyrimidine
- DB-381002
- DTXSID601290957
- 4-chloro-2-phenyl-5-methylpyrimidine
- SCHEMBL13841426
- 13317-71-0
-
- Inchi： 1S/C11H9ClN2/c1-8-7-13-11(14-10(8)12)9-5-3-2-4-6-9/h2-7H,1H3
- InChI Key： MLIVXISRHAYSPY-UHFFFAOYSA-N
- SMILES： ClC1=C(C)C=NC(C2C=CC=CC=2)=N1
Computed Properties
- Exact Mass: 204.0454260g/mol
- Monoisotopic Mass: 204.0454260g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 1
- Complexity: 180
- 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: 3.2
- Topological Polar Surface Area: 25.8?2
Pyrimidine, 4-chloro-5-methyl-2-phenyl- Related Literature
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Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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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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Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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