Cas no 608537-74-2 (2-Thiophenecarboxylic acid, 4-bromo-3-methoxy-, ethyl ester)
608537-74-2 structure
Product Name:2-Thiophenecarboxylic acid, 4-bromo-3-methoxy-, ethyl ester
CAS No:608537-74-2
MF:C8H9BrO3S
MW:265.124260663986
CID:1623534
PubChem ID:58735813
Update Time:2025-04-21
2-Thiophenecarboxylic acid, 4-bromo-3-methoxy-, ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- 2-Thiophenecarboxylic acid, 4-bromo-3-methoxy-, ethyl ester
- DB-101098
- SCHEMBL12086920
- 608537-74-2
-
- Inchi： 1S/C8H9BrO3S/c1-3-12-8(10)7-6(11-2)5(9)4-13-7/h4H,3H2,1-2H3
- InChI Key： SDEKRCOGASUTAH-UHFFFAOYSA-N
- SMILES： BrC1=CSC(C(=O)OCC)=C1OC
Computed Properties
- Exact Mass: 263.94557
- Monoisotopic Mass: 263.94558g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 13
- Rotatable Bond Count: 4
- Complexity: 188
- 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: 2.8
- Topological Polar Surface Area: 63.8?2
Experimental Properties
- PSA: 35.53
2-Thiophenecarboxylic acid, 4-bromo-3-methoxy-, ethyl ester Related Literature
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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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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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