Cas no 89499-29-6 (2-Thiophenecarboxylic acid, 4-(acetylamino)-5-chloro-, methyl ester)
89499-29-6 structure
Product Name:2-Thiophenecarboxylic acid, 4-(acetylamino)-5-chloro-, methyl ester
CAS No:89499-29-6
MF:C8H8ClNO3S
MW:233.672019958496
CID:598746
PubChem ID:4118933
Update Time:2025-04-19
2-Thiophenecarboxylic acid, 4-(acetylamino)-5-chloro-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- 2-Thiophenecarboxylic acid, 4-(acetylamino)-5-chloro-, methyl ester
- methyl 4-acetamido-5-chlorothiophene-2-carboxylate
- 89499-29-6
- DTXSID20399524
-
- Inchi： 1S/C8H8ClNO3S/c1-4(11)10-5-3-6(8(12)13-2)14-7(5)9/h3H,1-2H3,(H,10,11)
- InChI Key： LRLRYDXQSHRZLZ-UHFFFAOYSA-N
- SMILES： ClC1=C(C=C(C(=O)OC)S1)NC(C)=O
Computed Properties
- Exact Mass: 232.99100
- Monoisotopic Mass: 232.991
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 14
- Rotatable Bond Count: 3
- Complexity: 249
- 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: 1.9
- Topological Polar Surface Area: 83.6?2
Experimental Properties
- PSA: 87.13000
- LogP: 2.79600
2-Thiophenecarboxylic acid, 4-(acetylamino)-5-chloro-, methyl ester Related Literature
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
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Amit Kumar Majhi,Subbarao Kanchi,V. Venkataraman,K. G. Ayappa,Prabal K. Maiti Soft Matter, 2015,11, 8632-8640
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Xingqun Zheng,Lele Song,Xin Feng,Li Li,Zidong Wei J. Mater. Chem. A, 2020,8, 14145-14151
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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