Cas no 89479-34-5 (3-Thiophenecarboxylic acid, 4-(2-chlorobenzoyl)-)
89479-34-5 structure
Product Name:3-Thiophenecarboxylic acid, 4-(2-chlorobenzoyl)-
CAS No:89479-34-5
MF:C12H7ClO3S
MW:266.700181245804
CID:599056
PubChem ID:13237902
Update Time:2025-04-19
3-Thiophenecarboxylic acid, 4-(2-chlorobenzoyl)- Chemical and Physical Properties
Names and Identifiers
-
- 3-Thiophenecarboxylic acid, 4-(2-chlorobenzoyl)-
- 4-(2-chlorobenzoyl)thiophene-3-carboxylic acid
- 89479-34-5
- DTXSID70531018
-
- Inchi： 1S/C12H7ClO3S/c13-10-4-2-1-3-7(10)11(14)8-5-17-6-9(8)12(15)16/h1-6H,(H,15,16)
- InChI Key： RFPNRRIPEUQONT-UHFFFAOYSA-N
- SMILES： ClC1C=CC=CC=1C(C1=CSC=C1C(=O)O)=O
Computed Properties
- Exact Mass: 265.9804429g/mol
- Monoisotopic Mass: 265.9804429g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 17
- Rotatable Bond Count: 3
- Complexity: 321
- 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: 3.1
- Topological Polar Surface Area: 82.6?2
3-Thiophenecarboxylic acid, 4-(2-chlorobenzoyl)- Related Literature
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Fuming Xiao,Mengzhu Wang,Yunxiang Lei,Wenbo Dai,Yunbing Zhou,Miaochang Liu,Wenxia Gao,Xiaobo Huang,Huayue Wu J. Mater. Chem. C, 2020,8, 17410-17416
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Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
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Marta Liras,Isabel Quijada-Garrido,Marta Palacios-Cuesta,Sonia Mu?oz-Durieux,Olga García Polym. Chem., 2014,5, 433-442
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Mengke Li,Xinyi Cai,Zhenyang Qiao,Wentao Xie,Liangying Wang,Nan Zheng,Shi-Jian Su Chem. Commun., 2019,55, 7215-7218
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James D. Kirkham,Patrick M. Delaney,George J. Ellames,Eleanor C. Row,Joseph P. A. Harrity Chem. Commun., 2010,46, 5154-5156
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