Cas no 89200-69-1 (7-Quinazolinecarboxylic acid, 4-chloro-2,6,8-trimethyl-, ethyl ester)
89200-69-1 structure
Product Name:7-Quinazolinecarboxylic acid, 4-chloro-2,6,8-trimethyl-, ethyl ester
CAS No:89200-69-1
MF:C14H15ClN2O2
MW:278.734102487564
CID:609157
PubChem ID:71322629
Update Time:2025-04-19
7-Quinazolinecarboxylic acid, 4-chloro-2,6,8-trimethyl-, ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- 7-Quinazolinecarboxylic acid, 4-chloro-2,6,8-trimethyl-, ethyl ester
- ethyl 4-chloro-2,6,8-trimethylquinazoline-7-carboxylate
- DTXSID50752289
- 89200-69-1
-
- Inchi： 1S/C14H15ClN2O2/c1-5-19-14(18)11-7(2)6-10-12(8(11)3)16-9(4)17-13(10)15/h6H,5H2,1-4H3
- InChI Key： IOXRBIVWZPFJQC-UHFFFAOYSA-N
- SMILES： ClC1=C2C=C(C)C(C(=O)OCC)=C(C)C2=NC(C)=N1
Computed Properties
- Exact Mass: 278.0822054g/mol
- Monoisotopic Mass: 278.0822054g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 19
- Rotatable Bond Count: 3
- Complexity: 339
- 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: 3.9
- Topological Polar Surface Area: 52.1?2
7-Quinazolinecarboxylic acid, 4-chloro-2,6,8-trimethyl-, ethyl ester Related Literature
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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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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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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