Cas no 211429-74-2 (4-Isoxazolecarboxylicacid, 3-(2-chlorophenyl)-5-methyl-, 1-methylethyl ester)
211429-74-2 structure
Product Name:4-Isoxazolecarboxylicacid, 3-(2-chlorophenyl)-5-methyl-, 1-methylethyl ester
CAS No:211429-74-2
MF:C14H14ClNO3
MW:279.718863010406
CID:242387
PubChem ID:10755157
Update Time:2025-04-19
4-Isoxazolecarboxylicacid, 3-(2-chlorophenyl)-5-methyl-, 1-methylethyl ester Chemical and Physical Properties
Names and Identifiers
-
- 4-Isoxazolecarboxylicacid, 3-(2-chlorophenyl)-5-methyl-, 1-methylethyl ester
- 4-Isoxazolecarboxylicacid,3-(2-chlorophenyl)-5-methyl-,1-methylethylester(9CI)
- 211429-74-2
-
- Inchi： 1S/C14H14ClNO3/c1-8(2)18-14(17)12-9(3)19-16-13(12)10-6-4-5-7-11(10)15/h4-8H,1-3H3
- InChI Key： WKEIMFAVPWIMJV-UHFFFAOYSA-N
- SMILES： ClC1C=CC=CC=1C1C(C(=O)OC(C)C)=C(C)ON=1
Computed Properties
- Exact Mass: 279.0662210g/mol
- Monoisotopic Mass: 279.0662210g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 19
- Rotatable Bond Count: 4
- Complexity: 324
- 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: 3.7
- Topological Polar Surface Area: 52.3?2
4-Isoxazolecarboxylicacid, 3-(2-chlorophenyl)-5-methyl-, 1-methylethyl ester Related Literature
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Bo Wei,Zhenyu Liu,Chen Xie,Shu Yang,Wentao Tang,Aiwei Gu,Wing-Tak Wong,Ka-Leung Wong J. Mater. Chem. C, 2015,3, 12322-12327
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Shaun D. Wong,Edward I. Solomon Dalton Trans., 2014,43, 17567-17577
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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