Cas no 4319-89-5 (PYRIMIDINE, 5-CHLORO-2,4,6-TRIMETHOXY-)
4319-89-5 structure
Product Name:PYRIMIDINE, 5-CHLORO-2,4,6-TRIMETHOXY-
CAS No:4319-89-5
MF:C7H9ClN2O3
MW:204.61096072197
CID:3521603
PubChem ID:85822658
Update Time:2025-04-21
PYRIMIDINE, 5-CHLORO-2,4,6-TRIMETHOXY- Chemical and Physical Properties
Names and Identifiers
-
- PYRIMIDINE, 5-CHLORO-2,4,6-TRIMETHOXY-
- EN300-43379099
- DTXSID301293069
- 5-chloro-2,4,6-trimethoxypyrimidine
- 4319-89-5
-
- Inchi： 1S/C7H9ClN2O3/c1-11-5-4(8)6(12-2)10-7(9-5)13-3/h1-3H3
- InChI Key： HWWPNABYLTZKRO-UHFFFAOYSA-N
- SMILES： C1(OC)=NC(OC)=C(Cl)C(OC)=N1
Computed Properties
- Exact Mass: 204.0301698Da
- Monoisotopic Mass: 204.0301698Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 13
- Rotatable Bond Count: 3
- Complexity: 147
- 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: 53.5?2
PYRIMIDINE, 5-CHLORO-2,4,6-TRIMETHOXY- Related Literature
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
-
Shaun D. Wong,Edward I. Solomon Dalton Trans., 2014,43, 17567-17577
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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