Cas no 943324-15-0 (Methyl 4-bromo-3-(4-methylphenyl)-2-thiophenecarboxylate)
943324-15-0 structure
Product Name:Methyl 4-bromo-3-(4-methylphenyl)-2-thiophenecarboxylate
CAS No:943324-15-0
MF:C13H11BrO2S
MW:311.194241762161
CID:2109466
Update Time:2023-08-04
Methyl 4-bromo-3-(4-methylphenyl)-2-thiophenecarboxylate Chemical and Physical Properties
Names and Identifiers
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- methyl 4-bromo-3-(4-methylphenyl)-2-thiophenecarboxylate
- 3-(4-Methylphenyl)-4-bromothiophene-2-carboxylic acid methyl ester
- Methyl 4-bromo-3-(4-methylphenyl)-2-thiophenecarboxylate
-
- Inchi： 1S/C13H11BrO2S/c1-8-3-5-9(6-4-8)11-10(14)7-17-12(11)13(15)16-2/h3-7H,1-2H3
- InChI Key： IHVRPGLIFGLWAP-UHFFFAOYSA-N
- SMILES： BrC1=CSC(C(=O)OC)=C1C1C=CC(C)=CC=1
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 17
- Rotatable Bond Count: 3
- Complexity: 277
- Topological Polar Surface Area: 54.5
Methyl 4-bromo-3-(4-methylphenyl)-2-thiophenecarboxylate Related Literature
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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Gerald J. Meyer,Leif Hammarstr?m Chem. Sci., 2020,11, 3460-3473
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Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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