Cas no 62403-97-8 (2-Thiophenecarboxylic acid, 5-(4-bromophenyl)-4-methyl-, ethyl ester)
62403-97-8 structure
Product Name:2-Thiophenecarboxylic acid, 5-(4-bromophenyl)-4-methyl-, ethyl ester
CAS No:62403-97-8
MF:C14H13BrO2S
MW:325.220822095871
CID:445955
PubChem ID:821877
Update Time:2025-04-19
2-Thiophenecarboxylic acid, 5-(4-bromophenyl)-4-methyl-, ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- 2-Thiophenecarboxylic acid, 5-(4-bromophenyl)-4-methyl-, ethyl ester
- ethyl 5-(4-bromophenyl)-4-methylthiophene-2-carboxylate
- DTXSID80356335
- AA-516/30012026
- ethyl 5-(4-bromophenyl)-4-methyl-2-thiophenecarboxylate
- 62403-97-8
-
- Inchi： 1S/C14H13BrO2S/c1-3-17-14(16)12-8-9(2)13(18-12)10-4-6-11(15)7-5-10/h4-8H,3H2,1-2H3
- InChI Key： BKQPLQBEMPXJKZ-UHFFFAOYSA-N
- SMILES： BrC1C=CC(=CC=1)C1=C(C)C=C(C(=O)OCC)S1
Computed Properties
- Exact Mass: 323.98199
- Monoisotopic Mass: 323.98196g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 18
- Rotatable Bond Count: 4
- Complexity: 290
- 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: 4.9
- Topological Polar Surface Area: 54.5?2
Experimental Properties
- PSA: 26.3
2-Thiophenecarboxylic acid, 5-(4-bromophenyl)-4-methyl-, ethyl ester Related Literature
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
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