Cas no 62403-98-9 (2-Thiophenecarboxylic acid, 4-methyl-5-(3-nitrophenyl)-, ethyl ester)
62403-98-9 structure
Product Name:2-Thiophenecarboxylic acid, 4-methyl-5-(3-nitrophenyl)-, ethyl ester
CAS No:62403-98-9
MF:C14H13NO4S
MW:291.32232260704
CID:445954
PubChem ID:821970
Update Time:2025-04-19
2-Thiophenecarboxylic acid, 4-methyl-5-(3-nitrophenyl)-, ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- 2-Thiophenecarboxylic acid, 4-methyl-5-(3-nitrophenyl)-, ethyl ester
- ethyl 4-methyl-5-(3-nitrophenyl)thiophene-2-carboxylate
- DTXSID10356348
- 62403-98-9
- ethyl 5-{3-nitrophenyl}-4-methyl-2-thiophenecarboxylate
- AA-516/33240015
-
- Inchi： 1S/C14H13NO4S/c1-3-19-14(16)12-7-9(2)13(20-12)10-5-4-6-11(8-10)15(17)18/h4-8H,3H2,1-2H3
- InChI Key： IZLMJYWLJCDLPQ-UHFFFAOYSA-N
- SMILES： S1C(C(=O)OCC)=CC(C)=C1C1C=CC=C(C=1)[N+](=O)[O-]
Computed Properties
- Exact Mass: 291.05659
- Monoisotopic Mass: 291.05652907g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 20
- Rotatable Bond Count: 4
- Complexity: 371
- 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: 4
- Topological Polar Surface Area: 100?2
Experimental Properties
- PSA: 69.44
2-Thiophenecarboxylic acid, 4-methyl-5-(3-nitrophenyl)-, ethyl ester Related Literature
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Dan Yang,Yanping Zhou,Xianhong Rui,Jixin Zhu,Ziyang Lu,Eileen Fong,Qingyu Yan RSC Adv., 2013,3, 14960-14962
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Hui Liu,Deyong Su,Guolin Cheng,Jimin Xu,Xinyan Wang,Yuefei Hu Org. Biomol. Chem., 2010,8, 1899-1904
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