Cas no 150537-08-9 (5-Pyrimidinecarboxylic acid, 4-chloro-2-(2-hydroxyphenyl)-, ethyl ester)
150537-08-9 structure
Product Name:5-Pyrimidinecarboxylic acid, 4-chloro-2-(2-hydroxyphenyl)-, ethyl ester
CAS No:150537-08-9
MF:C13H11ClN2O3
MW:278.69104218483
CID:1325967
PubChem ID:747295
Update Time:2025-04-20
5-Pyrimidinecarboxylic acid, 4-chloro-2-(2-hydroxyphenyl)-, ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- 5-Pyrimidinecarboxylic acid, 4-chloro-2-(2-hydroxyphenyl)-, ethyl ester
- ethyl 4-chloro-2-(2-hydroxyphenyl)pyrimidine-5-carboxylate
- SR-01000495763-1
- AKOS001675719
- HMS2621N10
- CHEMBL1544374
- SCHEMBL8294631
- DB-308013
- SR-01000495763
- MLS000682888
- SMR000312971
- 150537-08-9
- AB00081398-01
-
- Inchi： 1S/C13H11ClN2O3/c1-2-19-13(18)9-7-15-12(16-11(9)14)8-5-3-4-6-10(8)17/h3-7,17H,2H2,1H3
- InChI Key： GMUOXEQRMCUFFK-UHFFFAOYSA-N
- SMILES： ClC1=C(C(=O)OCC)C=NC(C2C=CC=CC=2O)=N1
Computed Properties
- Exact Mass: 278.04593
- Monoisotopic Mass: 278.046
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 19
- Rotatable Bond Count: 3
- Complexity: 583
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 67.8A^2
- XLogP3: 2.7
Experimental Properties
- PSA: 72.31
5-Pyrimidinecarboxylic acid, 4-chloro-2-(2-hydroxyphenyl)-, ethyl ester Related Literature
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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