Cas no 1047628-66-9 (Methyl 4-bromo-5-propylthiophene-2-carboxylate)
1047628-66-9 structure
Product Name:Methyl 4-bromo-5-propylthiophene-2-carboxylate
CAS No:1047628-66-9
MF:C9H11BrO2S
MW:263.151440858841
CID:2116682
Update Time:2023-08-03
Methyl 4-bromo-5-propylthiophene-2-carboxylate Chemical and Physical Properties
Names and Identifiers
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- methyl 4-bromo-5-propylthiophene-2-carboxylate
- VVUKDYFGCBARLF-UHFFFAOYSA-N
- methyl 4-bromo-5-propyl-2-thiophenecarboxylate
- 4-Bromo-5-propyl-thiophene-2-carboxylic acid methyl ester
- Methyl 4-bromo-5-propylthiophene-2-carboxylate
-
- Inchi： 1S/C9H11BrO2S/c1-3-4-7-6(10)5-8(13-7)9(11)12-2/h5H,3-4H2,1-2H3
- InChI Key： VVUKDYFGCBARLF-UHFFFAOYSA-N
- SMILES： BrC1C=C(C(=O)OC)SC=1CCC
Computed Properties
- Exact Mass: 261.966
- Monoisotopic Mass: 261.966
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 4
- Complexity: 187
- 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
- Topological Polar Surface Area: 54.5
Methyl 4-bromo-5-propylthiophene-2-carboxylate Related Literature
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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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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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