Cas no 62403-99-0 (2-Thiophenecarboxylic acid, 4-methyl-5-(4-nitrophenyl)-, ethyl ester)
62403-99-0 structure
Product Name:2-Thiophenecarboxylic acid, 4-methyl-5-(4-nitrophenyl)-, ethyl ester
CAS No:62403-99-0
MF:C14H13NO4S
MW:291.32232260704
CID:445953
PubChem ID:821999
Update Time:2025-04-19
2-Thiophenecarboxylic acid, 4-methyl-5-(4-nitrophenyl)-, ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- 2-Thiophenecarboxylic acid, 4-methyl-5-(4-nitrophenyl)-, ethyl ester
- ethyl 4-methyl-5-(4-nitrophenyl)thiophene-2-carboxylate
- 62403-99-0
- DTXSID00356352
-
- Inchi： 1S/C14H13NO4S/c1-3-19-14(16)12-8-9(2)13(20-12)10-4-6-11(7-5-10)15(17)18/h4-8H,3H2,1-2H3
- InChI Key： NVSBHFKEEJQVFC-UHFFFAOYSA-N
- SMILES： S1C(C(=O)OCC)=CC(C)=C1C1C=CC(=CC=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: 363
- 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-(4-nitrophenyl)-, ethyl ester Related Literature
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Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
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Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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