Cas no 1783316-29-9 (4-Isoxazolecarboxylic acid, 5-chloro-3-methyl-, methyl ester)
1783316-29-9 structure
Product Name:4-Isoxazolecarboxylic acid, 5-chloro-3-methyl-, methyl ester
CAS No:1783316-29-9
MF:C6H6ClNO3
MW:175.569740772247
CID:5926565
PubChem ID:84049052
Update Time:2024-01-12
4-Isoxazolecarboxylic acid, 5-chloro-3-methyl-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- 4-Isoxazolecarboxylic acid, 5-chloro-3-methyl-, methyl ester
- Methyl 5-chloro-3-methyl-1,2-oxazole-4-carboxylate
- EN300-734156
- Methyl5-chloro-3-methyl-1,2-oxazole-4-carboxylate
- 1783316-29-9
-
- Inchi： 1S/C6H6ClNO3/c1-3-4(6(9)10-2)5(7)11-8-3/h1-2H3
- InChI Key： BETPUTJXKXNYPC-UHFFFAOYSA-N
- SMILES： O1C(Cl)=C(C(OC)=O)C(C)=N1
Computed Properties
- Exact Mass: 175.0036207g/mol
- Monoisotopic Mass: 175.0036207g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 11
- Rotatable Bond Count: 2
- Complexity: 164
- 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: 1.6
- Topological Polar Surface Area: 52.3?2
Experimental Properties
- Density: 1.334±0.06 g/cm3(Predicted)
- Boiling Point: 252.8±35.0 °C(Predicted)
- pka: -5.09±0.50(Predicted)
4-Isoxazolecarboxylic acid, 5-chloro-3-methyl-, methyl ester Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Enamine | EN300-734156-1.0g |
methyl 5-chloro-3-methyl-1,2-oxazole-4-carboxylate |
1783316-29-9 | 1g |
$0.0 | 2023-06-07 |
4-Isoxazolecarboxylic acid, 5-chloro-3-methyl-, methyl ester Related Literature
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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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Xiaotong Feng,Lei Bian,Jie Ma,Lei Zhou,Xiayan Wang,Guangsheng Guo,Qiaosheng Pu Chem. Commun., 2019,55, 3963-3966
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
-
Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
-
Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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