Cas no 62403-22-9 (2-Thiophenecarboxylic acid, 5-(2-bromophenyl)-4-methyl-)
62403-22-9 structure
Product Name:2-Thiophenecarboxylic acid, 5-(2-bromophenyl)-4-methyl-
CAS No:62403-22-9
MF:C12H9BrO2S
MW:297.167661428452
CID:446009
PubChem ID:71386729
Update Time:2025-04-19
2-Thiophenecarboxylic acid, 5-(2-bromophenyl)-4-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 2-Thiophenecarboxylic acid, 5-(2-bromophenyl)-4-methyl-
- 5-(2-bromophenyl)-4-methylthiophene-2-carboxylic acid
- DTXSID40808885
- 62403-22-9
- AKOS017432003
-
- Inchi： 1S/C12H9BrO2S/c1-7-6-10(12(14)15)16-11(7)8-4-2-3-5-9(8)13/h2-6H,1H3,(H,14,15)
- InChI Key： OGNYQWJLKDGNOJ-UHFFFAOYSA-N
- SMILES： BrC1C=CC=CC=1C1=C(C)C=C(C(=O)O)S1
Computed Properties
- Exact Mass: 295.95067
- Monoisotopic Mass: 295.95066g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 16
- Rotatable Bond Count: 2
- Complexity: 272
- 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: 4.2
- Topological Polar Surface Area: 65.5?2
Experimental Properties
- PSA: 37.3
2-Thiophenecarboxylic acid, 5-(2-bromophenyl)-4-methyl- Related Literature
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Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
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Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
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P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
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Xiaofeng Lin RSC Adv., 2016,6, 9002-9006
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Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
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