Cas no 79614-52-1 (ethyl 4-chloro-2-ethoxypyrimidine-5-carboxylate)
79614-52-1 structure
Product Name:ethyl 4-chloro-2-ethoxypyrimidine-5-carboxylate
CAS No:79614-52-1
MF:C9H11ClN2O3
MW:230.648241281509
CID:984774
PubChem ID:3018845
Update Time:2025-04-20
ethyl 4-chloro-2-ethoxypyrimidine-5-carboxylate Chemical and Physical Properties
Names and Identifiers
-
- ethyl 4-chloro-2-ethoxypyrimidine-5-carboxylate
- NS00062301
- DTXSID801000625
- SCHEMBL11098691
- EINECS 279-197-2
- 79614-52-1
- GRLKBTHCYBPJBT-UHFFFAOYSA-N
-
- Inchi： 1S/C9H11ClN2O3/c1-3-14-8(13)6-5-11-9(15-4-2)12-7(6)10/h5H,3-4H2,1-2H3
- InChI Key： GRLKBTHCYBPJBT-UHFFFAOYSA-N
- SMILES： ClC1=C(C=NC(=N1)OCC)C(=O)OCC
Computed Properties
- Exact Mass: 230.046
- Monoisotopic Mass: 230.046
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 15
- Rotatable Bond Count: 5
- Complexity: 216
- 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: 2.1
- Topological Polar Surface Area: 61.3?2
Experimental Properties
- Density: 1.262
- Boiling Point: 339°C at 760 mmHg
- Flash Point: 158.8°C
- Refractive Index: 1.514
ethyl 4-chloro-2-ethoxypyrimidine-5-carboxylate Related Literature
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
-
Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
79614-52-1 (ethyl 4-chloro-2-ethoxypyrimidine-5-carboxylate) Related Products
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