Cas no 29363-97-1 (5-Isoxazolecarboxylic acid, 3-(4-chlorophenyl)-, ethyl ester)
29363-97-1 structure
Product Name:5-Isoxazolecarboxylic acid, 3-(4-chlorophenyl)-, ethyl ester
CAS No:29363-97-1
MF:C12H10ClNO3
MW:251.665702342987
CID:1438619
PubChem ID:776507
Update Time:2025-04-20
5-Isoxazolecarboxylic acid, 3-(4-chlorophenyl)-, ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- 5-Isoxazolecarboxylic acid, 3-(4-chlorophenyl)-, ethyl ester
- ethyl 3-(4-chlorophenyl)-1,2-oxazole-5-carboxylate
- SCHEMBL2180427
- HMS1370K19
- HMJZECLYUKCVRS-UHFFFAOYSA-N
- CHEMBL4539306
- 5-(4-Chloro-phenyl)-isoxazole-3-carboxylic ac id ethyl ester
- AKOS000670496
- STL329410
- DA-07256
- ethyl 3-(4-chlorophenyl)isoxazole-5-carboxylate
- EU-0070877
- ChemDiv2_000591
- 29363-97-1
-
- Inchi： 1S/C12H10ClNO3/c1-2-16-12(15)11-7-10(14-17-11)8-3-5-9(13)6-4-8/h3-7H,2H2,1H3
- InChI Key： HMJZECLYUKCVRS-UHFFFAOYSA-N
- SMILES： ClC1C=CC(=CC=1)C1C=C(C(=O)OCC)ON=1
Computed Properties
- Exact Mass: 251.035
- Monoisotopic Mass: 251.0349209g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 17
- Rotatable Bond Count: 4
- Complexity: 267
- 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: 52.3?2
Experimental Properties
- PSA: 52.33
5-Isoxazolecarboxylic acid, 3-(4-chlorophenyl)-, ethyl ester Related Literature
-
Amit Kumar Majhi,Subbarao Kanchi,V. Venkataraman,K. G. Ayappa,Prabal K. Maiti Soft Matter, 2015,11, 8632-8640
-
Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
-
Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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