Cas no 918825-99-7 (2-Thiophenecarboxylic acid, 5-bromo-4-hexyl-, methyl ester)
918825-99-7 structure
Product Name:2-Thiophenecarboxylic acid, 5-bromo-4-hexyl-, methyl ester
CAS No:918825-99-7
MF:C12H17BrO2S
MW:305.23118185997
CID:770064
PubChem ID:16096788
Update Time:2025-04-19
2-Thiophenecarboxylic acid, 5-bromo-4-hexyl-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- 2-Thiophenecarboxylic acid, 5-bromo-4-hexyl-, methyl ester
- methyl 5-bromo-4-hexylthiophene-2-carboxylate
- DTXSID60582594
- 918825-99-7
-
- Inchi： 1S/C12H17BrO2S/c1-3-4-5-6-7-9-8-10(12(14)15-2)16-11(9)13/h8H,3-7H2,1-2H3
- InChI Key： UMMMSZDKDGNSEW-UHFFFAOYSA-N
- SMILES： BrC1=C(C=C(C(=O)OC)S1)CCCCCC
Computed Properties
- Exact Mass: 304.01326g/mol
- Monoisotopic Mass: 304.01326g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 16
- Rotatable Bond Count: 7
- Complexity: 223
- 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: 5.8
- Topological Polar Surface Area: 54.5?2
2-Thiophenecarboxylic acid, 5-bromo-4-hexyl-, methyl ester Related Literature
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Xu Jie,Deng Xu,Weili Wei RSC Adv., 2019,9, 29149-29153
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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Xingqun Zheng,Lele Song,Xin Feng,Li Li,Zidong Wei J. Mater. Chem. A, 2020,8, 14145-14151
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