Cas no 62224-23-1 (2-Thiophenecarboxylic acid, 3,5-dibromo-, 1,1-dimethylethyl ester)
62224-23-1 structure
Product Name:2-Thiophenecarboxylic acid, 3,5-dibromo-, 1,1-dimethylethyl ester
CAS No:62224-23-1
MF:C9H10Br2O2S
MW:342.047500133514
CID:453695
PubChem ID:71388612
Update Time:2025-04-19
2-Thiophenecarboxylic acid, 3,5-dibromo-, 1,1-dimethylethyl ester Chemical and Physical Properties
Names and Identifiers
-
- 2-Thiophenecarboxylic acid, 3,5-dibromo-, 1,1-dimethylethyl ester
- tert-butyl 3,5-dibromothiophene-2-carboxylate
- DTXSID50810671
- 62224-23-1
-
- Inchi： 1S/C9H10Br2O2S/c1-9(2,3)13-8(12)7-5(10)4-6(11)14-7/h4H,1-3H3
- InChI Key： VFJZKSVRUITVEV-UHFFFAOYSA-N
- SMILES： BrC1C=C(SC=1C(=O)OC(C)(C)C)Br
Computed Properties
- Exact Mass: 339.8768
- Monoisotopic Mass: 339.87683g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 3
- Complexity: 227
- 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: 4.5
- Topological Polar Surface Area: 54.5?2
Experimental Properties
- PSA: 26.3
2-Thiophenecarboxylic acid, 3,5-dibromo-, 1,1-dimethylethyl ester Related Literature
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
62224-23-1 (2-Thiophenecarboxylic acid, 3,5-dibromo-, 1,1-dimethylethyl ester) Related Products
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