Cas no 96543-77-0 (2-Thiophenecarboxylicacid, 5-(2-chloroacetyl)-)
96543-77-0 structure
Product Name:2-Thiophenecarboxylicacid, 5-(2-chloroacetyl)-
CAS No:96543-77-0
MF:C7H5ClO3S
MW:204.630800008774
CID:800389
PubChem ID:45080997
Update Time:2025-04-19
2-Thiophenecarboxylicacid, 5-(2-chloroacetyl)- Chemical and Physical Properties
Names and Identifiers
-
- 2-Thiophenecarboxylicacid, 5-(2-chloroacetyl)-
- 2-Thiophenecarboxylic acid, 5-(chloroacetyl)- (9CI)
- 5-(2-chloroacetyl)thiophene-2-carboxylic acid
- DTXSID30664270
- 5-(Chloroacetyl)thiophene-2-carboxylic acid
- 96543-77-0
-
- Inchi： 1S/C7H5ClO3S/c8-3-4(9)5-1-2-6(12-5)7(10)11/h1-2H,3H2,(H,10,11)
- InChI Key： BDYPBGQJEQRZDL-UHFFFAOYSA-N
- SMILES： ClCC(C1=CC=C(C(=O)O)S1)=O
Computed Properties
- Exact Mass: 203.965
- Monoisotopic Mass: 203.965
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 12
- Rotatable Bond Count: 3
- Complexity: 207
- 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
- Topological Polar Surface Area: 82.6A^2
- XLogP3: 2.1
2-Thiophenecarboxylicacid, 5-(2-chloroacetyl)- Related Literature
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Chengbin Yang,Hing Lun Tsang,Pui Man Lau,Ken-Tye Yong,Ho Pui Ho,Siu Kai Kong Analyst, 2017,142, 3579-3587
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Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
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Xiang Liu,Qian Sun,A. B. Djuri?i?,Maohai Xie,Baohu Dai,Jinyao Tang,Charles Surya,Changzhong Liao,Kaimin Shih RSC Adv., 2015,5, 100783-100789
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4. An integrated chip for immunofluorescence and its application to analyze lysosomal storage disordersJie Shen,Ying Zhou,Tu Lu,Junya Peng,Zhixiang Lin,Yuhong Pang,Li Yu Lab Chip, 2012,12, 317-324
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5. An autonomous self-optimizing flow machine for the synthesis of pyridine–oxazoline (PyOX) ligands?Eric Wimmer,Daniel Cortés-Borda,Solène Brochard,Elvina Barré,Charlotte Truchet,Fran?ois-Xavier Felpin React. Chem. Eng., 2019,4, 1608-1615
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