Cas no 512809-45-9 ((4-Chloro-3-methyl-pyrazol-1-yl)-acetic acid ethyl ester)
512809-45-9 structure
Product Name:(4-Chloro-3-methyl-pyrazol-1-yl)-acetic acid ethyl ester
CAS No:512809-45-9
MF:C8H11ClN2O2
MW:202.638140916824
CID:3058239
PubChem ID:3656854
Update Time:2025-04-21
(4-Chloro-3-methyl-pyrazol-1-yl)-acetic acid ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- (4-Chloro-3-methyl-pyrazol-1-yl)-acetic acid ethyl ester
- 512809-45-9
- ethyl 2-(4-chloro-3-methylpyrazol-1-yl)acetate
- AKOS000305839
- Ethyl 4-chloro-3-methyl-1H-pyrazole-1-acetate
- ETHYL 2-(4-CHLORO-3-METHYL-1H-PYRAZOL-1-YL)ACETATE
- DTXSID101253364
- STK399767
- ethyl (4-chloro-3-methyl-1H-pyrazol-1-yl)acetate
- AK-968/41170222
-
- Inchi: 1S/C8H11ClN2O2/c1-3-13-8(12)5-11-4-7(9)6(2)10-11/h4H,3,5H2,1-2H3
- InChI Key: IRJUZYMBDRZTBA-UHFFFAOYSA-N
- SMILES: ClC1=CN(CC(=O)OCC)N=C1C
Computed Properties
- Exact Mass: 202.0509053Da
- Monoisotopic Mass: 202.0509053Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 4
- Complexity: 189
- 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: 44.1?2
(4-Chloro-3-methyl-pyrazol-1-yl)-acetic acid ethyl ester Related Literature
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
512809-45-9 ((4-Chloro-3-methyl-pyrazol-1-yl)-acetic acid ethyl ester) Related Products
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