Cas no 890621-34-8 (3-(5-Chloro-2-thienyl)-1H-pyrazole-5-carboxylic acid)
890621-34-8 structure
Product Name:3-(5-Chloro-2-thienyl)-1H-pyrazole-5-carboxylic acid
CAS No:890621-34-8
MF:C8H5ClN2O2S
MW:228.655499219894
CID:3161559
PubChem ID:3156992
Update Time:2025-04-21
3-(5-Chloro-2-thienyl)-1H-pyrazole-5-carboxylic acid Chemical and Physical Properties
Names and Identifiers
-
- 3-(5-Chloro-2-thienyl)-1H-pyrazole-5-carboxylic acid
- GYIXQBMJJZNZJW-UHFFFAOYSA-N
- NXB37525
- STK400127
- F2130-0045
- Z240119328
- 5-(5-chloro-thiophen-2-yl)-1H-pyrazole-3-carboxylic acid
- 3-(5-chlorothiophen-2-yl)-1H-pyrazole-5-carboxylicacid
- DB-306247
- 890621-34-8
- SMR000274060
- HMS2754J17
- DTXSID201324354
- 5-(5-chloro-2-thienyl)-1H-Pyrazole-3-carboxylic acid
- 844-543-9
- AKOS000138118
- SCHEMBL72067
- AKOS000270671
- CHEMBL1877103
- CS-0316974
- 3-(5-chlorothiophen-2-yl)-1H-pyrazole-5-carboxylic acid
- 1188375-25-8
- MLS000716945
- DTXCID401753763
- EN300-60855
- 5-(5-Chloro-thiophen-2-yl)-2H-pyrazole-3-carboxylic acid
- 5-(5-chlorothiophen-2-yl)-1H-pyrazole-3-carboxylic acid
-
- Inchi： 1S/C8H5ClN2O2S/c9-7-2-1-6(14-7)4-3-5(8(12)13)11-10-4/h1-3H,(H,10,11)(H,12,13)
- InChI Key： GYIXQBMJJZNZJW-UHFFFAOYSA-N
- SMILES： ClC1=CC=C(C2=CC(C(=O)O)=NN2)S1
Computed Properties
- Exact Mass: 227.9760263Da
- Monoisotopic Mass: 227.9760263Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 14
- Rotatable Bond Count: 2
- Complexity: 241
- 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: 2.4
- Topological Polar Surface Area: 94.2?2
3-(5-Chloro-2-thienyl)-1H-pyrazole-5-carboxylic acid Related Literature
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Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
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Jason Wan Lab Chip, 2020,20, 4528-4538
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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